Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 1.00 |
| ▸ | CES1 | P23141 | 4/20 | 1.00 |
| ▸ | GSK3B | P49841 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5445265 | 0.91 | CES2 (0.83) | CES2CES1GSK3BALDH1A1TSHR | |
| SCHEMBL10847368 | 0.82 | CES2 (0.69) | CES2CES1GSK3BTSHRSRD5A2 | |
| SCHEMBL2847913 | 0.81 | ALDH1A1 (0.79) | CES2CES1ALDH1A1TSHRHSD17B10 | |
| SCHEMBL24054728 | 0.81 | CES2 (0.66) | CES2CES1ALDH1A1TSHRHSD17B10 | |
| SCHEMBL504285 | 0.80 | CES2 (0.67) | CES2CES1GSK3BLMNASRD5A2 | |
| SCHEMBL4634324 | 0.80 | CES2 (0.67) | CES2CES1GSK3BLMNASRD5A2 | |
| SCHEMBL504284 | 0.80 | CES2 (0.67) | CES2CES1GSK3BLMNASRD5A2 | |
| SCHEMBL29247981 | 0.80 | CES2 (0.63) | CES2CES1GSK3BALDH1A1TSHR | |
| SCHEMBL23204032 | 0.80 | CES2 (0.63) | CES2CES1GSK3BALDH1A1TSHR | |
| SCHEMBL11755325 | 0.79 | CES2 (0.66) | CES2CES1GSK3BTSHRSRD5A2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10844051-B2 | Substituted oxazoles for the treatment of cancer | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY | 2020-11-24 | — | — | US | disclosed |
| US-20180208586-A1 | COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2018-07-26 | — | — | US | disclosed |
| WO-2017011920-A1 | COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2017-01-26 | — | — | WO | disclosed |
| US-20070185169-A1 | 2-Mercapto-4,5-Diarylimidazole Derivatives and the use thereof as Cyclooxygenase Inhibitors | BEIERSDORF, AG | 2007-08-09 | — | — | US | disclosed |
| US-7223781-B2 | 2-mercapto-4,5-diarylimidazole derivatives and the use thereof as cyclooxygenase inhibitors | BEIERSDORF AG (DE) | 2007-05-29 | — | — | US | disclosed |
| US-20040116695-A1 | 2-Mercapto-4,5-diarylimidazole derivatives and the use thereof as cyclooxygenase inhibitors | BEIERSDORF AG (DE) | 2004-06-17 | — | — | US | disclosed |
| EP-0010361-B1 | BIS-IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SMITHKLINE BECKMAN CORPORATION (US) | 1983-04-27 | — | — | EP | disclosed |
| EP-0010361-A1 | Bis-imidazoles, their preparation and pharmaceutical compositions containing them | SMITHKLINE BECKMAN CORPORATION (US) | 1980-04-30 | — | — | EP | disclosed |
| US-4188397-A | ANTIARTHRITIC, ANTIINFLAMMATORY | SMITHKLINE CORPORATION (US) | 1980-02-12 | — | — | 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 (3 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-20180208586-A1 | COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS | VHL, TP53, CD44 | CES2 915/4885CES1 1052/4885GSK3B 2160/4885 |
| US-20070185169-A1 | 2-Mercapto-4,5-Diarylimidazole Derivatives and the use thereof as Cyclooxygenase Inhibitors | PTGS2, PTGES2, DHFR | CES2 1873/4885CES1 741/4885GSK3B 4171/4885 |
| US-10844051-B2 | Substituted oxazoles for the treatment of cancer | OXA1L, PDCD1, MCL1 | CES2 2724/4885CES1 2495/4885GSK3B 1217/4885 |
“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.