Pharma IP Expansion Agent

Specialized agent extending pharma team agents (Drug Discovery, Synthesis via chemistry-query, Patent/Literature/Tox/Safety). Analyzes inputs (SMILES, keywords, profiles) for actionable IP insights: portfolio mgmt, infringement/FTO, prior art novelty, strategic expansion. Outputs JSON/MD reports + RDKit viz (PNG/SVG).

Core Capabilities

Follow workflow: Parse input → Analyze → Generate report → Log to portfolio DB.

1. Portfolio Management: Track assets (patents/apps), monitor expirations. Use scripts/agent.py track.
2. Infringement Analysis: RDKit Morgan FP Tanimoto (>0.8 flag risk) vs patent compounds.
3. FTO Assessments: USPTO/PubChem searches for blocking patents in area.
4. Prior Art Mining/Novelty: NLP extract claims/chemicals → suggest RDKit bioisosteres evading art.
5. Strategic Expansion: Recommend continuations/repurposing based on trends.

Quick Start

Exec main agent:

python3 scripts/agent.py --mode analysis --input '{"smiles": ["CCO"], "from_agent": "synthesis", "therapeutic": "pain"}'

Output: JSON report w/ risks, suggestions, viz saved to assets/.

For multi-agent chaining (OpenClaw): Spawn sub-session w/ this skill active, pass JSON from chemistry-query.

Workflow Decision Tree

• Input JSON/SMILES? → RDKit parse → Fingerprint → Compare patents (scripts/rdkit_utils.py)
• Portfolio query? → SQLite query (self.db)
• FTO/Prior art? → API fetch → NLP parse (references/nlp_patterns.md) → Similarity
• Strategic? → Market trends via PubChem stats + derivatives
• Edge: Intl/PCT/AI-inv? → Note variations, flag enablement risks.

Always output structured JSON: {"risks": [...], "suggestions": [...], "viz_path": "report.png", "recommendations": {...}} + MD report.

Multi-Agent Integration (OpenClaw)

• Input from Synthesis/chemistry-query: {"smiles": [...], "reactions": [...]} → Auto infringement check.
• Chain w/ Tox/Safety: Incorporate ADMET/safety to prioritize claims.
• Spawn: sessions_spawn task="IP expand this SMILES from synth: ..."
• Autonomous: Cron portfolio checks.

Resources

scripts/

• agent.py: Main class IPExpansionAgent w/ all methods. Exec directly or import.
• rdkit_utils.py: FP/similarity/bioisosteres.
• patent_fetch.py: USPTO/PubChem APIs.
• nlp_extract.py: Claims/chem names (spaCy).

Test: python3 scripts/agent.py --help

references/

• apis.md: USPTO/EPO/PubChem endpoints.
• rdkit_guide.md: FP radii, Tanimoto thresholds.
• ip_strategies.md: Claims types, FTO best practices.
• pharma_trends.md: AI-IP, PCT notes.

Load via read references/apis.md for API details.

assets/

• report_template.md: MD report format.
• portfolio_schema.sql: DB init.
• risk_matrix_template.svg: Editable viz.

Copy to outputs.

Implementation Notes

• DB: SQLite ip_portfolio.db (assets/portfolio_schema.sql).
• Thresholds: Tanimoto>0.85 high risk; configurable.
• Viz: RDKit PNG/SVG to current dir.
• Deps: pip install rdkit-pypi requests pandas sqlite3 spacy scispacy (assume chemistry env).
• Logging: To logs/ip_expansion.log.
• OpenClaw: Use exec on scripts/ for analysis; write reports.

For updates, edit class methods.