Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | TACR2 | P21452 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6582301 | 0.96 | CA2 (0.46) | CA2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL5752173 | 0.84 | ESR1 (0.39) | GAAESR1ADRA2AADORA3TACR2 | |
| SCHEMBL5041156 | 0.84 | GAA (0.44) | GAALMNATP53CYP3A4HIF1A | |
| SCHEMBL6580542 | 0.83 | GAA (0.36) | GAAESR1ADRA2AADORA3TACR2 | |
| SCHEMBL5751594 | 0.82 | LTA4H (0.58) | KCNH2 | |
| SCHEMBL5753750 | 0.82 | ESR1 (0.40) | GAAESR1ADRA2AADORA3TACR2 | |
| SCHEMBL9836370 | 0.81 | ESR1 (0.37) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL5750549 | 0.81 | PPARA (0.40) | ALDH1A1LMNACYP3A4KCNH2 | |
| SCHEMBL5749727 | 0.80 | MGLL (0.40) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| Hydrochloric Acid SCHEMBL9836369 | 0.80 | ESR1 (0.36) | ESR1ADRA2AADORA3TACR2SLC6A2 |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7405231-B2 | Anticancer agents; inhibitors of the HER-signaling pathway with decreased toxicity, better solubility and improved pharmacokinetic profile; e.g. 1-[4-(4-(2-[(E)-2-(4-Methanesulfinyl-phenyl)-vinyl]-oxazol-4-ylmethoxy)-phenyl)-butyl]-1H-[1,2,3]triazole | HOFFMANN-LA ROCHE INC. (US) | 2008-07-29 | — | — | US | disclosed |
| US-7235574-B2 | Pentafluorosulfanyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2007-06-26 | — | — | US | disclosed |
| CN-1930156-A | Oxidized thioether derivatives of styryl-azoles and their use as HER tyrosine kinases inhibitors | HOFFMANN LA ROCHE (CH) | 2007-03-14 | — | — | CN | disclosed |
| CN-1930153-A | Pentafluorosulfanyl compounds, their preparation and use as pharmaceutical agents | HOFFMANN LA ROCHE (CH) | 2007-03-14 | — | — | CN | disclosed |
| EP-1725549-A1 | PENTAFLUOROSULFANYL COMPOUNDS, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-11-29 | — | — | EP | disclosed |
| EP-1725551-A1 | OXIDIZED THIOETHER DERIVATIVES OF STYRYL-AZOLES AND THEIR USE AS HER TYROSINE KINASES INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-11-29 | — | — | EP | disclosed |
| US-6984653-B2 | Heterocyclic compounds, oxazole derivatives, process for preparation of the same and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-01-10 | — | — | US | disclosed |
| WO-2005095393-A1 | OXIDIZED THIOETHER DERIVATIVES OF STYRYL-AZOLES AND THEIR USE AS HER TYROSINE KINASES INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-13 | — | — | WO | disclosed |
| WO-2005095388-A1 | PENTAFLUOROSULFANYL COMPOUNDS, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-13 | — | — | WO | disclosed |
| US-20050203064-A1 | Novel oxidized thioether derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2005-09-15 | — | — | US | disclosed |
| US-6716863-B2 | TYROSINE KINASE INHIBITORS; ANTITUMOR AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2004-04-06 | — | — | US | disclosed |
| US-20040058956-A1 | Pharmaceutical composition having an improved water solubility | TAKEDA CHEMICAL INDUSTRIES LTD. (JP) | 2004-03-25 | — | — | US | disclosed |
| US-20040053972-A1 | Medicinal compositions having improved absorbability | TAKEDA CHEMICAL INDUSTRIES LTD. (JP) | 2004-03-18 | — | — | US | disclosed |
| US-20040024035-A1 | Heterocyclic compounds, their production and use | TASAKA AKIHIRO (JP) | 2004-02-05 | — | — | US | disclosed |
| EP-1350792-A1 | MEDICINAL COMPOSITIONS IMPROVED IN SOLUBLITY IN WATER | Takeda Chemical Industries, Ltd. (JP) | 2003-10-08 | — | — | EP | disclosed |
| EP-1350793-A1 | MEDICINAL COMPOSITIONS HAVING IMPROVED ABSORBABILITY | Takeda Chemical Industries, Ltd. (JP) | 2003-10-08 | — | — | EP | disclosed |
| CN-1444582-A | Heterocyclic compound, their preparation and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-09-24 | — | — | CN | disclosed |
| EP-1268473-A1 | OXAZOLE DERIVATIVES AND THEIR USES AS TYROSINE KINASE INHIBITORS | Takeda Chemical Industries, Ltd. (JP) | 2003-01-02 | — | — | EP | disclosed |
| US-20020173526-A1 | Heterocyclic compounds their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-11-21 | — | — | US | disclosed |
| WO-2001077107-A1 | OXAZOLE DERIVATIVES AND THEIR USES AS TYROSINE KINASE INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-10-18 | — | — | 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 (5 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-20040024035-A1 | Heterocyclic compounds, their production and use | ABL1, ROS1, MAPK1 | CA2 972/4885GAA 3882/4885ESR1 1343/4885 |
| US-20020173526-A1 | Heterocyclic compounds their production and use | ABL1, ROS1, MAPK1 | CA2 845/4885GAA 3715/4885ESR1 1862/4885 |
| US-20050203064-A1 | Novel oxidized thioether derivatives | SULT1E1, CYP4F3, GPX4 | CA2 4296/4885GAA 2693/4885ESR1 520/4885 |
| US-20040058956-A1 | Pharmaceutical composition having an improved water solubility | ERBB2, EGFR, ABCG2 | CA2 729/4885GAA 584/4885ESR1 359/4885 |
| US-20040053972-A1 | Medicinal compositions having improved absorbability | EGFR, ERBB2, ERBB3 | CA2 271/4885GAA 147/4885ESR1 419/4885 |
“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.