SCHEMBL3241887

SCHEMBL3241887

NS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2C2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.56
PTGS1 P23219 9/20 0.56
EPHX2 P34913 5/20 0.51
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
ABCB11 O95342 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL6350551 0.88 PTGS2 (0.55) PTGS2PTGS1EPHX2ABCB11ALDH1A1
SCHEMBL6343089 0.85 PTGS2 (0.51) PTGS2PTGS1EPHX2ABCB11ALDH1A1
SCHEMBL6013987 0.82 PTGS2 (0.60) PTGS2PTGS1EPHX2CA1CA2
SCHEMBL6013942 0.82 PTGS2 (0.60) PTGS2PTGS1EPHX2CA1CA2
SCHEMBL6351028 0.82 PTGS2 (0.53) PTGS2PTGS1EPHX2ABCB11ALDH1A1
SCHEMBL9116198 0.81 NPC1 (0.47) PTGS2PTGS1ALDH1A1
SCHEMBL6013977 0.81 PTGS2 (0.61) PTGS2PTGS1CA1CA2ABCB11
SCHEMBL6343151 0.80 PTGS2 (0.48) PTGS2PTGS1EPHX2ABCB11ALDH1A1
SCHEMBL8635859 0.79 PTGS2 (0.41) PTGS2PTGS1EPHX2CA1CA2
SCHEMBL6721395 0.77 EPHX2 (0.38) PTGS2PTGS1EPHX2ABCB11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE44048-E1 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-YL]benzenesulfonamide for the treatment of inflammation or an inflammation-associated disorder G.D. SEARLE LLC (US) 2013-03-05 US claimed
EP-1390026-B1 TREATMENT OF HPV CAUSED DISEASES CORNELL RES FOUNDATION INC (US) 2010-05-05 EP claimed
EP-1146789-B1 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/NEU CORNELL RES FOUNDATION INC (US) 2009-03-18 EP claimed
CN-1268614-C Substituted pyrazolyl benzenesulfonamides for treating inflammation SEARLE & CO (US) 2006-08-09 CN claimed
US-20040192930-A1 Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation G.D. SEARLE & CO. (US) 2004-09-30 US claimed
CN-1495170-A Substituted pyrazolyl benzenesulfonamides for treating inflammation G.D.ɪ����˾ 2004-05-12 CN claimed
EP-0922697-B1 Substituted Pyrazolyl benzenesulfonamides and their use as cyclooxygenase II inhibitors SEARLE & CO (US) 2003-02-26 EP claimed
US-6492411-B1 TREATING ARTHRITIS; REDUCED SIDE EFFECTS G. D. SEARLE & CO. 2002-12-10 US claimed
EP-0923933-B1 Substituted pyrazolyl benzenesulfonamides for use in the treatment of inflammation SEARLE & CO (US) 2002-07-03 EP claimed
US-6413960-B1 NON-STEROIDAL ANTI-INFLAMMATORY AGENTS; ACTIVE IN REDUCING PROSTAGLANDIN-INDUCED PAIN AND SWELLING; ANALGESICS; ANTIPYRETICS; ARTHRITIS; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 2002-07-02 US claimed
US-6156781-A Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation G. D. SEARLE & CO. (US) 2000-12-05 US claimed
EP-0923933-A1 Substituted pyrazolyl benzenesulfonamides for use in the treatment of inflammation G.D. SEARLE & CO. (US) 1999-06-23 EP claimed
EP-0922697-A1 Substituted Pyrazolyl benzenesulfonamides and their use as cyclooxygenase II inhibitors G.D. SEARLE & CO. (US) 1999-06-16 EP claimed
CN-1202828-A Substituted pyrzolyl benzenesulfonanides for use in veterinary SEARLE & CO (US) 1998-12-23 CN claimed
EP-0854723-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR USE IN VETERINARY THERAPIES AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-07-29 EP claimed
WO-1997011704-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR USE IN VETERINARY THERAPIES AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1997-04-03 WO claimed
CN-1141630-A Substituted pyrazolyl benzenesulfonamides for treating inflammation SEARLE & CO (US) 1997-01-29 CN claimed
EP-0731795-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP claimed
US-5466823-A Antiinflammatory agents; FDA Orange book listed patent for Celebrex G.D. SEARLE & CO. (US) 1995-11-14 US claimed
WO-1995015316-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G. D. SEARLE & CO. (US) 1995-06-08 WO 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 (1 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-20040192930-A1 Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation IL6, HRH4, CCR2 PTGS2 279/4885PTGS1 539/4885EPHX2 2007/4885

“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.