SCHEMBL1687503

SCHEMBL1687503

CS(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.79
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
PTGS1 P23219 7/20 0.59

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
SCHEMBL8770202 1.00 PTGS2 (0.79) PTGS2CA12CA1CA2CA9
SCHEMBL8770634 0.91 PTGS2 (0.68) PTGS2CA12CA1CA2CA9
SCHEMBL8646859 0.91 PTGS2 (0.68) PTGS2CA12CA1CA2CA9
SCHEMBL10300269 0.89 PTGS2 (0.62) PTGS2CA12CA2CA9PTGS1
SCHEMBL7677302 0.89 PTGS2 (0.62) PTGS2CA12CA2CA9PTGS1
SCHEMBL5502727 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL1676176 0.88 PTGS2 (0.63) PTGS2PTGS1
Hydrogen Sulfide SCHEMBL27744400 0.87 PTGS2 (0.96) PTGS2PTGS1
Cyclohexene SCHEMBL3252500 0.86 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL7566329 0.85 PTGS2 (0.66) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377948-B2 Antitumor agents and methods of their use THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-19 US claimed
US-20090048265-A1 NOVEL ANTITUMOR AGENTS AND METHODS OF THEIR USE THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-02-19 US claimed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP claimed
JP-2006516145-A 2006-06-22 JP claimed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP claimed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 WO claimed
US-20240368173-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2024-11-07 US disclosed
EP-4393923-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION Yiyou Biotech (Shanghai) Co., Ltd. (CN) 2024-07-03 EP disclosed
CN-117646044-A Method for synthesizing (1R, 2R) -4-methylsulfonyl benzene silk amino alcohol by multi-enzyme cascade and application thereof 福州大学 2024-03-05 CN disclosed
WO-2023115327-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION 中国药科大学 2023-06-29 WO disclosed
US-20230158146-A1 HSP70 Inhibitors and Methods of Using Same THE WISTAR INST (US) 2023-05-25 US disclosed
EP-3464317-B1 AMINOSTEROID DERIVATIVES AND PROCESS FOR PRODUCING SAME UNIV LAVAL (CA) 2023-04-26 EP disclosed
US-20220396549-A1 SMALL MOLECULE INHIBITORS OF THE MCL-1 ONCOPROTEIN AND USES THEROF UNIV MARYLAND (US) 2022-12-15 US disclosed
EP-1037868-B1 $g(a)-HYDROXY, -AMINO, AND HALO DERIVATIVES OF $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS UPJOHN CO (US) 2003-02-05 EP disclosed
US-6437177-B1 DISEASES INVOLVING CONNECTIVE TISSUE DEGRADATION; ARTHRITIS, OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, DERMAL, OR GASTRIC ULCERATION, AND ASTHMA; 2-HYDROXY-2-(PHENYLTHIO) METHYL-3-(4-BUTOXYBENZENESULFONYL)PROPIONIC ACID PHARMACIA & UPJOHN COMPANY 2002-08-20 US disclosed
EP-1037868-A2 $g(a)-HYDROXY, -AMINO, AND HALO DERIVATIVES OF $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-09-27 EP disclosed
WO-1999026909-A2 ALPHA-HYDROXY, -AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-06-03 WO disclosed
EP-0866367-A2 Radiation sensitive composition JSR Corporation (JP) 1998-09-23 EP disclosed
EP-0794942-A1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-09-17 EP disclosed
WO-1996016934-A1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-06-06 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 (4 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-20230158146-A1 HSP70 Inhibitors and Methods of Using Same HSPA2, HSPBP1, HSP90AB1 PTGS2 691/4885CA12 3645/4885CA1 1960/4885
US-20240368173-A1 TRICYCLIC GPR65 MODULATORS GPR65, GPR3, NR1H2 PTGS2 1526/4885CA12 1990/4885CA1 2760/4885
US-20220396549-A1 SMALL MOLECULE INHIBITORS OF THE MCL-1 ONCOPROTEIN AND USES THEROF MCL1, TP53, MYC PTGS2 4096/4885CA12 4416/4885CA1 4476/4885
US-20090048265-A1 NOVEL ANTITUMOR AGENTS AND METHODS OF THEIR USE ADRB1, ADRA2A, ADRA1A PTGS2 1229/4885CA12 3517/4885CA1 2952/4885

“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.