Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | APEX1 | P27695 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1190630 | 1.00 | NPSR1 (0.32) | NPSR1AADATTSHRCYP3A4TDP1 | |
| Hydrochloric Acid SCHEMBL1190305 | 0.98 | NPSR1 (0.32) | NPSR1AADAT | |
| SCHEMBL555785 | 0.83 | — | — | |
| SCHEMBL3118096 | 0.77 | CYP3A4 (0.47) | AADATTSHRCYP3A4TDP1MAPT | |
| SCHEMBL18818961 | 0.76 | NPSR1 (0.33) | NPSR1TSHRCYP3A4ALDH1A1POLB | |
| SCHEMBL13341983 | 0.71 | ALDH1A1 (0.32) | NPSR1TSHRCYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL12495014 | 0.70 | MEN1 (0.41) | AADATTSHRTDP1MAPTALDH1A1 | |
| SCHEMBL12495020 | 0.70 | MEN1 (0.41) | AADATTSHRTDP1MAPTALDH1A1 | |
| SCHEMBL11116966 | 0.69 | — | — | |
| SCHEMBL8297540 | 0.69 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7501406-B2 | Fluoro substituted 2-oxo-azepan derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-03-10 | — | — | US | disclosed |
| US-20070037789-A1 | 4-chloro-N-((R)-5,5-difluoro-2-oxo-azepan-3-yl)-N-[2-fluoro-4-(2H-[1,2,4]triazol-3-yl)-benzyl]-benzenesulfonamide; gamma -secretase inhibitor; neurodegenerative diseases; Alzheimer's disease; anticarcinogenic agent; cervical carcinomas and breast carcinomas and malignancies of the hematotic system | F. HOFFMANN-LA ROCHE AG (CH) | 2007-02-15 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070037789-A1 | 4-chloro-N-((R)-5,5-difluoro-2-oxo-azepan-3-yl)-N-[2-fluoro-4-(2H-[1,2,4]triazol-3-yl)-benzyl]-benzenesulfonamide; gamma -secretase inhibitor; neurodegenerative diseases; Alzheimer's disease; anticarcinogenic agent; cervical carcinomas and breast carcinomas and malignancies of the hematotic system | BACE1, BACE2, BRCA1 | NPSR1 1536/4885AADAT 2827/4885TSHR 1778/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.