Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 18/20 | 0.50 |
| ▸ | CTSL | P07711 | 11/20 | 0.50 |
| ▸ | CTSK | P43235 | 3/20 | 0.50 |
| ▸ | CTSB | P07858 | 10/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3896944 | 0.86 | CTSS (0.46) | CTSSCTSLCTSKCTSB | |
| SCHEMBL3895596 | 0.83 | CTSS (0.58) | CTSSCTSLCTSB | |
| SCHEMBL3894558 | 0.82 | CTSS (0.43) | CTSSCTSLCTSKCTSB | |
| SCHEMBL3909374 | 0.81 | CTSS (0.42) | CTSSCTSLCTSKCTSB | |
| SCHEMBL3904028 | 0.80 | CTSS (0.44) | CTSSCTSLCTSKCTSB | |
| SCHEMBL3033151 | 0.75 | CTSS (0.61) | CTSSCTSLCTSKCTSB | |
| SCHEMBL4505588 | 0.75 | CTSS (0.60) | CTSSCTSLCTSKCTSB | |
| SCHEMBL3898489 | 0.74 | NPC1 (0.40) | CTSSCTSLCTSKCTSB | |
| SCHEMBL3893012 | 0.73 | CTSS (0.46) | CTSSCTSLCTSKCTSB | |
| SCHEMBL3902550 | 0.71 | CTSC (0.45) | CTSSCTSLCTSKCTSB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1399431-B1 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMA (US) | 2009-02-18 | — | — | EP | claimed |
| US-6982263-B2 | Nitriles useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2006-01-03 | — | — | US | claimed |
| US-20030119827-A1 | Novel nitriles useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2003-06-26 | — | — | US | claimed |
| EP-1399431-B1 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMA (US) | 2009-02-18 | — | — | EP | disclosed |
| US-6982263-B2 | Nitriles useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2006-01-03 | — | — | US | disclosed |
| US-20030119827-A1 | Novel nitriles useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2003-06-26 | — | — | 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-20030119827-A1 | Novel nitriles useful as reversible inhibitors of cysteine proteases | NOS1, CTSK, CTSS | CTSS 3/4885CTSL 11/4885CTSK 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.