Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMO | Q99835 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 3/20 | 0.32 |
| ▸ | CTSS | P25774 | 2/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12400788 | 1.00 | CA1 (0.36) | CA1CA2CA7SMYD3KMT2A | |
| SCHEMBL3882891 | 1.00 | CA1 (0.36) | CA1CA2CA7SMYD3KMT2A | |
| SCHEMBL5394636 | 0.81 | CA1 (0.39) | CA1CA2CA7KMT2AALDH1A1 | |
| SCHEMBL5395439 | 0.81 | CA1 (0.39) | CA1CA2CA7KMT2AALDH1A1 | |
| SCHEMBL8291561 | 0.81 | CA1 (0.39) | CA1CA2CA7KMT2AALDH1A1 | |
| SCHEMBL5397589 | 0.81 | HDAC4 (0.41) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL5397595 | 0.81 | HDAC4 (0.41) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL8292289 | 0.80 | CA1 (0.36) | CA1CA2CA7KMT2AALDH1A1 | |
| SCHEMBL13937535 | 0.79 | CTSK (0.41) | CA1CA2CA7KMT2AALDH1A1 | |
| SCHEMBL3874457 | 0.79 | CTSK (0.41) | CA1CA2CA7KMT2AALDH1A1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8268996-B2 | Compounds and compositions as cathepsin S inhibitors | IRM LLC (BM) | 2012-09-18 | — | — | US | disclosed |
| US-20110245243-A1 | COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS | NOVARTIS AG | 2011-10-06 | — | — | US | disclosed |
| US-7985749-B2 | Compounds and compositions as cathepsin S inhibitors | NOVARTIS AG (CH) | 2011-07-26 | — | — | US | disclosed |
| US-7482448-B2 | Compounds and compositions as cathepsin inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2009-01-27 | — | — | US | disclosed |
| US-7482448-B2 | Compounds and compositions as cathepsin inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2009-01-27 | — | — | US | disclosed |
| US-7482448-B2 | Compounds and compositions as cathepsin inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2009-01-27 | — | — | US | disclosed |
| US-20060189657-A1 | Novel compounds and compositions as cathepsin inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2006-08-24 | — | — | US | disclosed |
| EP-1682524-A1 | NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS | Aventis Pharmaceuticals, Inc. (US) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005040142-A9 | NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS | AVENTIS PHARMA INC (US) | 2005-06-09 | — | — | WO | disclosed |
| WO-2005040142-A1 | NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2005-05-06 | — | — | WO | disclosed |
| WO-2005040142-A1 | NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2005-05-06 | — | — | 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-20110245243-A1 | COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS | CTSS, CTSB, CTSF | CA1 757/4885CA2 408/4885CA7 411/4885 |
| US-20060189657-A1 | Novel compounds and compositions as cathepsin inhibitors | CTSB, CTSS, CTSK | CA1 623/4885CA2 273/4885CA7 279/4885 |
“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.