Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | SGPL1 | O95470 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.33 |
| ▸ | LAP3 | P28838 | 1/20 | 0.33 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28861616 | 0.88 | SGPL1 (0.34) | CA2CA1SGPL1LAP3 | |
| SCHEMBL19555534 | 0.88 | CA1 (0.36) | CA2CA1FDPSSGPL1SLC1A3 | |
| SCHEMBL16013208 | 0.83 | DDAH1 (0.31) | DDAH1 | |
| SCHEMBL13858969 | 0.82 | CA2 (0.45) | CA2CA1FDPSSGPL1MAPK1 | |
| SCHEMBL13858968 | 0.82 | CA2 (0.45) | CA2CA1FDPSSGPL1MAPK1 | |
| Bicarbonate SCHEMBL28878734 | 0.81 | CA2 (0.44) | CA2CA1FDPSSGPL1MAPK1 | |
| SCHEMBL27451383 | 0.81 | FDPS (0.36) | CA2CA1FDPSSGPL1MAPK1 | |
| SCHEMBL28601410 | 0.79 | — | — | |
| SCHEMBL31737026 | 0.78 | CA2 (0.37) | CA2CA1FDPSSGPL1MAPK1 | |
| SCHEMBL28857838 | 0.78 | CA2 (0.42) | CA2CA1FDPSSGPL1MAPK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8729114-B2 | Heteroaryl nitrile compounds useful as inhibitors of Cathepsin-S | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-05-20 | — | — | US | disclosed |
| US-8729114-B2 | Heteroaryl nitrile compounds useful as inhibitors of Cathepsin-S | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-05-20 | — | — | US | disclosed |
| US-20130158018-A1 | Heteroaryl Nitrile Compounds Useful as Inhibitors of Cathepsin-S | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-20 | — | — | US | disclosed |
| US-20130158018-A1 | Heteroaryl Nitrile Compounds Useful as Inhibitors of Cathepsin-S | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-20 | — | — | US | disclosed |
| WO-2011109470-A1 | HETEROARYL NITRILE COMPOUNDS USEFUL AS INHIBITORS OF CATHEPSIN-S | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-09-09 | — | — | 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 (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-20130158018-A1 | Heteroaryl Nitrile Compounds Useful as Inhibitors of Cathepsin-S | CTSS, CTSV, CTSF | CA2 528/4885CA1 574/4885FDPS 2575/4885 |
“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.