SCHEMBL176891

SCHEMBL176891

NC(=O)c1ccc(S(N)(=O)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 1.00
CA1 P00915 12/20 0.88
CA9 Q16790 12/20 0.88
CA12 O43570 10/20 0.88
CA14 Q9ULX7 8/20 0.88
CA5A P35218 3/20 0.68
CA5B Q9Y2D0 3/20 0.68
CA6 P23280 2/20 0.68
CA7 P43166 2/20 0.68
CA3 P07451 1/20 0.68
CYP2C19 P33261 1/20 0.68
CA4 P22748 2/20 0.57
IKBKB O14920 1/20 0.57
MAPK12 P53778 1/20 0.57
MAOA P21397 3/20 0.55
MAOB P27338 1/20 0.53
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
CA13 Q8N1Q1 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL29640680 0.88 CA2 (0.78) CA2CA1CA9CA12CA14
Benzenesulfonamide SCHEMBL28378396 0.85 CA2 (0.73) CA2CA1CA9CA12CA14
SCHEMBL15608431 0.83 CA2 (0.71) CA2CA1CA9CA12CA14
P-Toluenesulfonamide SCHEMBL7641434 0.81 CA2 (0.67) CA2CA1CA9CA12CA14
SCHEMBL1498165 0.81 CA2 (0.68) CA2CA1CA9CA12CA14
Carzenide SCHEMBL312419 0.81 CA2 (1.00) CA2CA1CA9CA12CA14
SCHEMBL12671803 0.81 CA2 (0.68) CA2CA1CA9CA12CA14
Terephthalamide SCHEMBL693310 0.79 CA2 (0.65) CA2CA1CA9CA12CA14
Carzenide SCHEMBL3872466 0.79 CA2 (0.95) CA2CA1CA9CA12CA14
SCHEMBL3824136 0.79 CA2 (0.65) CA2CA1CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-2091951-B1 PYRIDO[2,3-B]PYRAZINE AND [1,8]-NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2018-02-28 EP claimed
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP claimed
EP-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP claimed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US claimed
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 EP claimed
US-8202863-B2 2-Phenyl-pyrimidine-5-carboxylic acid benzylamide; to treat allergic and/or inflammatory disorders, particularly disorders such as allergic rhinitis, asthma and/or chronic obstructive pulmonary disease AVENTIS PHARMACEUTICALS INC. (US) 2012-06-19 US claimed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US claimed
EP-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP claimed
CN-101993416-A Quinoline compound and preparation method thereof, medicament combination containing compound and application of compound SHANGHAI INST MATERIA MEDICA 2011-03-30 CN claimed
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP claimed
US-20030220353-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2003-11-27 US claimed
EP-1294724-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS AS IMMUNOSUPPRESSIVE AGENTS Pfizer Products Inc. (US) 2003-03-26 EP claimed
US-20020128232-A1 Heterocyclic angiogenesis inhibitors STARPHARMA LIMITED (AU) 2002-09-12 US claimed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2002-06-06 US claimed
WO-2002030886-A2 HETEROCYCLIC ANGIOGENESIS INHIBITORS MATTHEWS BARRY R (AU) 2002-04-18 WO claimed
WO-2002000661-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS IMMUNOSUPPRESSIVE AGENTS PFIZER PRODUCTS INC. (US) 2002-01-03 WO claimed
US-4124704-A ANTIMICROBIAL RIKER LABORATORIES, INC. (US) 1978-11-07 US claimed
US-4067993-A Antimicrobial 2-nitro-3-phenylbenzofurancarboxylic acids RIKER LABORATORIES, INC. (US) 1978-01-10 US claimed

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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 CA2 1737/4885CA1 2327/4885CA9 4167/4885
US-20030220353-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, CDK2, JAK3 CA2 3777/4885CA1 4363/4885CA9 4375/4885
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, CDK2, JAK3 CA2 3777/4885CA1 4363/4885CA9 4375/4885
US-20020128232-A1 Heterocyclic angiogenesis inhibitors KDR, CBR3, OGFR CA2 1274/4885CA1 3094/4885CA9 1030/4885

“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.