SCHEMBL709654

SCHEMBL709654

CS(=O)(=O)OCc1nccs1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CYP2C19 P33261 2/20 0.39
FDPS P14324 1/20 0.39
ALDH1A1 P00352 3/20 0.37
PKM P14618 2/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A3 Q01959 2/20 0.36
ACACB O00763 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
PTGS2 P35354 2/20 0.34
PTGS1 P23219 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL10746302 0.82 CYP1A2 (0.39) CYP1A2CYP2C9CHRM2CHRM1CHRM3
SCHEMBL2376213 0.75 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19FDPSALDH1A1
SCHEMBL3109516 0.74
SCHEMBL5728824 0.74 CYP1A2 (0.38) CYP1A2CYP2C9CHRM2CHRM1CHRM3
SCHEMBL1878532 0.73 FFAR2 (0.38) CYP1A2ALDH1A1CYP3A4CYP2D6
SCHEMBL12853977 0.72
SCHEMBL18641577 0.72 NPY5R (0.33)
SCHEMBL6912136 0.71
SCHEMBL23796173 0.70 KDM4E (0.31) CYP1A2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL2085420 0.70 CYP2C19 (0.56) CYP1A2CYP2C9CYP2C19FDPSALDH1A1

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12071413-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2024-08-27 US disclosed
EP-3380970-B1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2023-01-04 EP disclosed
US-20220144784-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-05-12 US disclosed
US-11155525-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2021-10-26 US disclosed
US-20200347022-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-11-05 US disclosed
US-20200299262-A1 ARYL-SUBSTITUTED DIHYDROQUINOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS EPIGENETIX, INC. 2020-09-24 US disclosed
EP-3334717-B1 ARYL-SUBSTITUTED DIHYDROQUINOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS NEOMED INST (CA) 2020-07-01 EP disclosed
US-10626096-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2020-04-21 US disclosed
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 US disclosed
US-20180282289-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-10-04 US disclosed
US-7776900-B2 Benzimidazole derivatives and their use for modulating the GABAAreceptor complex NEUROSEARCH A/S (DK) 2010-08-17 US disclosed
US-7750002-B2 Pharmaceutical compounds PIRAMED LIMITED (GB) 2010-07-06 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
WO-2009048547-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. (US) 2009-04-16 WO disclosed
US-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex ANIONA APS (DK) 2009-01-29 US disclosed
US-20080207611-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 US disclosed
CN-101087794-A Pharmaceutical compounds PIRAMED LTD (GB) 2007-12-12 CN disclosed
EP-1812445-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 EP disclosed
WO-2007034277-A1 ARYL SUBSTITUTED IMIDAZO [4,5-C] PYRIDINE COMPOUNDS AS C3A RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-03-29 WO disclosed
WO-2006046031-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 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 (11 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200299262-A1 ARYL-SUBSTITUTED DIHYDROQUINOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BRPF3, BRD4, BRDT CYP1A2 926/4885CYP2C9 3647/4885CHRM2 4458/4885
US-12071413-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 CYP1A2 2470/4885CYP2C9 2345/4885CHRM2 560/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 CYP1A2 366/4885CYP2C9 1528/4885CHRM2 67/4885
US-11155525-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 CYP1A2 2470/4885CYP2C9 2345/4885CHRM2 560/4885
US-20080207611-A1 Pharmaceutical compounds PIK3CA, JAK2, PIK3R1 CYP1A2 984/4885CYP2C9 616/4885CHRM2 2162/4885
US-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex GABRB2, GABRB1, GABRB3 CYP1A2 789/4885CYP2C9 2209/4885CHRM2 492/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 CYP1A2 301/4885CYP2C9 1141/4885CHRM2 2872/4885
US-20200347022-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 CYP1A2 2777/4885CYP2C9 2507/4885CHRM2 827/4885
US-20220144784-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 CYP1A2 2734/4885CYP2C9 2575/4885CHRM2 676/4885
US-20180282289-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 CYP1A2 2752/4885CYP2C9 2594/4885CHRM2 683/4885
US-10626096-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 CYP1A2 2487/4885CYP2C9 2355/4885CHRM2 572/4885

“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.