Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 11/20 | 0.61 |
| ▸ | CTSK | P43235 | 11/20 | 0.61 |
| ▸ | CTSB | P07858 | 3/20 | 0.52 |
| ▸ | CTSL | P07711 | 1/20 | 0.52 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3186812 | 1.00 | CTSS (0.61) | CTSSCTSKCTSBCTSLGABRB1 | |
| SCHEMBL5740500 | 1.00 | CTSS (0.61) | CTSSCTSKCTSBCTSLGABRB1 | |
| SCHEMBL1992447 | 0.86 | CTSK (0.56) | CTSSCTSKCTSBCTSLGABRB1 | |
| SCHEMBL1992449 | 0.86 | CTSK (0.56) | CTSSCTSKCTSBCTSLGABRB1 | |
| SCHEMBL1995124 | 0.86 | CTSK (0.56) | CTSSCTSKCTSBCTSLGABRB1 | |
| SCHEMBL29582757 | 0.85 | CTSS (0.53) | CTSSCTSKCTSBCTSL | |
| SCHEMBL21243761 | 0.80 | CTSS (0.56) | CTSSCTSKCTSBCTSLGABRB1 | |
| SCHEMBL2707386 | 0.79 | CTSS (0.46) | CTSSCTSKCTSBCTSL | |
| SCHEMBL22805491 | 0.79 | TRPA1 (0.46) | CTSSCTSKCTSBCTSL | |
| SCHEMBL29582526 | 0.79 | TRPA1 (0.46) | CTSSCTSKCTSBCTSL |
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 |
|---|---|---|---|---|---|---|---|
| EP-1244621-B1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | HOFFMANN LA ROCHE (CH) | 2006-09-13 | — | — | EP | disclosed |
| EP-1294679-B1 | BETA-AMINO ACID NITRILE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2005-09-21 | — | — | EP | disclosed |
| EP-1294679-A1 | BETA-AMINO ACID NITRILE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-03-26 | — | — | EP | disclosed |
| US-6531612-B2 | Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis | HOFFMAN-LA ROCHE INC. | 2003-03-11 | — | — | US | disclosed |
| US-6462076-B2 | CYSTEINE PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CYSTEINE PROTEASES, SUCH AS OSTEOPOROSIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, TUMOR METASTASIS, ANGINA PECTORIS, PLAQUE RUPTURE AND STROKE ETC. | HOFFMANN-LA ROCHE INC. | 2002-10-08 | — | — | US | disclosed |
| EP-1244621-A1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-02 | — | — | EP | disclosed |
| US-20020016361-A1 | Beta-amino acid nitrile derivatives as cathepsin K inhibitors | HOFFMANN-LA ROCHE INC. | 2002-02-07 | — | — | US | disclosed |
| WO-2001096285-A1 | BETA-AMINO ACID NITRILE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-12-20 | — | — | WO | disclosed |
| US-20010008901-A1 | Nitrile derivatives that inhibit cathepsin K | F. HOFFMANN-LA ROCHE AG (CH) | 2001-07-19 | — | — | US | disclosed |
| WO-2001047886-A1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-07-05 | — | — | WO | 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-20020016361-A1 | Beta-amino acid nitrile derivatives as cathepsin K inhibitors | CTSK, CTSH, UACA | CTSS 4/4885CTSK 1/4885CTSB 5/4885 |
| US-20010008901-A1 | Nitrile derivatives that inhibit cathepsin K | CTSK, CTSH, CTSS | CTSS 3/4885CTSK 1/4885CTSB 5/4885 |
“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.