Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 19/20 | 0.62 |
| ▸ | CTSB | P07858 | 4/20 | 0.62 |
| ▸ | CTSS | P25774 | 3/20 | 0.62 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5259670 | 1.00 | CTSK (0.62) | CTSKCTSBCTSSCTSL | |
| SCHEMBL6753201 | 0.98 | CTSK (0.60) | CTSKCTSBCTSSCTSL | |
| SCHEMBL6699822 | 0.83 | CTSK (0.44) | CTSKCTSBCTSSCTSL | |
| SCHEMBL5259668 | 0.83 | CTSK (0.67) | CTSKCTSBCTSSCTSL | |
| SCHEMBL5262809 | 0.83 | CTSK (0.67) | CTSKCTSBCTSSCTSL | |
| SCHEMBL6753199 | 0.81 | CTSK (0.65) | CTSKCTSBCTSSCTSL | |
| SCHEMBL4612690 | 0.81 | CTSK (0.69) | CTSKCTSBCTSSCTSL | |
| SCHEMBL6754284 | 0.80 | CTSK (0.48) | CTSKCTSBCTSSCTSL | |
| SCHEMBL8298293 | 0.78 | CACNA1G (0.39) | CTSKCTSBCTSS | |
| SCHEMBL4614023 | 0.78 | CTSK (0.60) | CTSKCTSBCTSSCTSL |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6759428-B2 | SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS | ROCHE PALO ALTO LLC | 2004-07-06 | — | — | US | claimed |
| US-20040077646-A1 | Indole nitriles | ROCHE PALO ALTO LLC | 2004-04-22 | — | — | US | claimed |
| US-7300934-B2 | Benzamide nitriles | ROCHE PALO ALTO LLC (US) | 2007-11-27 | — | — | US | disclosed |
| US-7300934-B2 | Benzamide nitriles | ROCHE PALO ALTO LLC (US) | 2007-11-27 | — | — | US | disclosed |
| US-7300934-B2 | Benzamide nitriles | ROCHE PALO ALTO LLC (US) | 2007-11-27 | — | — | US | disclosed |
| EP-1453801-B1 | SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |
| WO-2004106285-A1 | BENZAMIDE NITRILE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-12-09 | — | — | WO | disclosed |
| US-20040248949-A1 | Benzamide nitriles | ROCHE PALO ALTO LLC | 2004-12-09 | — | — | US | disclosed |
| US-6759428-B2 | SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS | ROCHE PALO ALTO LLC | 2004-07-06 | — | — | US | disclosed |
| US-20040077646-A1 | Indole nitriles | ROCHE PALO ALTO LLC | 2004-04-22 | — | — | 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 (2 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-20040077646-A1 | Indole nitriles | TPH1, IDO1, NAT1 | CTSK 5/4885CTSB 24/4885CTSS 25/4885 |
| US-20040248949-A1 | Benzamide nitriles | CTSK, CTSS, CMA1 | CTSK 1/4885CTSB 5/4885CTSS 2/4885 |
“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.