Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.38 |
| ▸ | TCF7L2 | Q9NQB0 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | GUSB | P08236 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14330659 | 0.86 | CES2 (0.40) | CES2CES1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14331598 | 0.83 | CES2 (0.38) | CES2CES1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17120565 | 0.80 | CES2 (0.42) | CES2CES1CYP2C19DHODHTP53 | |
| SCHEMBL11913027 | 0.77 | CES2 (0.40) | CES2CES1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL18650595 | 0.73 | MAP4K4 (0.38) | DHODH | |
| SCHEMBL14330665 | 0.73 | ACSS2 (0.40) | CYP2C9GAAMAPTL3MBTL1KDM4E | |
| SCHEMBL18654129 | 0.73 | CES2 (0.49) | CES2CES1GAALMNA | |
| SCHEMBL14330655 | 0.73 | CES2 (0.42) | CES2CES1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL13347723 | 0.72 | NQO2 (0.46) | MAPTL3MBTL1KDM4EHDAC4LMNA | |
| SCHEMBL14330637 | 0.71 | CES2 (0.39) | CES2CES1CYP3A4CYP2C9CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8940735-B2 | Metalloenzyme inhibitor compounds | VIAMET PHARMACEUTICALS, INC. (US) | 2015-01-27 | — | — | US | disclosed |
| US-8883797-B2 | Metalloenzyme inhibitor compounds | VIAMET PHARMACEUTICALS, INC. (US) | 2014-11-11 | — | — | US | disclosed |
| US-20130012503-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2013-01-10 | — | — | US | disclosed |
| US-20120329802-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2012-12-27 | — | — | 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-20130012503-A1 | METALLOENZYME INHIBITOR COMPOUNDS | MMEL1, GPX1, MPO | CES2 286/4885CES1 198/4885CYP3A4 558/4885 |
| US-20120329802-A1 | METALLOENZYME INHIBITOR COMPOUNDS | MMEL1, GPX1, MPO | CES2 286/4885CES1 198/4885CYP3A4 558/4885 |
“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.