SCHEMBL3246379

SCHEMBL3246379

NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 1.00
PTGS1 P23219 8/20 1.00
CYP2C9 P11712 2/20 0.81
PDPK1 O15530 7/20 0.80
PTGES O14684 1/20 0.80
HDAC3 O15379 1/20 0.80
CA12 O43570 1/20 0.80
PDE5A O76074 1/20 0.80
ABCB11 O95342 1/20 0.80
MT-CO2 P00403 1/20 0.80
CA1 P00915 1/20 0.80
CA2 P00918 1/20 0.80
LMNA P02545 1/20 0.80
CA3 P07451 1/20 0.80
CYP3A4 P08684 1/20 0.80
ALOX5 P09917 1/20 0.80
ADORA3 P0DMS8 1/20 0.80
CYP2D6 P10635 1/20 0.80
ADRB3 P13945 1/20 0.80
ALOX15 P16050 1/20 0.80

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
Mavacoxib SCHEMBL212699 1.00 PTGS2 (1.00) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL6342351 0.95 PTGS2 (0.90) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL152885 0.90 PTGS2 (1.00) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL6344437 0.90 PTGS2 (0.81) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL6013968 0.90 PTGS2 (0.81) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL3096416 0.90 PTGS2 (1.00) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL6013946 0.89 PTGS2 (0.80) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL3900112 0.89 PTGS2 (1.00) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL5923919 0.89 PDPK1 (1.00) PTGS2PTGS1CYP2C9PDPK1PTGES
Celecoxib SCHEMBL3669597 0.89 PTGS2 (1.00) PTGS2PTGS1CYP2C9PDPK1PTGES

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 59 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
US-20040192930-A1 Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation G.D. SEARLE & CO. (US) 2004-09-30 US claimed
CN-1134418-C Substituted pyrazolyl benzenesulfonamides for treating inflammation - 2004-01-14 CN claimed
CN-1280126-A Substituted pyrazolyl benzenesulfonamides for treating inflammation SEARLE & CO (US) 2001-01-17 CN 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
CN-1141630-A Substituted pyrazolyl benzenesulfonamides for treating inflammation SEARLE & CO (US) 1997-01-29 CN claimed
US-5563165-A PROSTAGLANDIN INHIBITOR; FDA ORANGE BOOK LISTED PATENT FOR CELEBREX G. D. SEARL & CO. (US) 1996-10-08 US claimed
EP-0731795-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP claimed
WO-1995015316-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G. D. SEARLE & CO. (US) 1995-06-08 WO claimed
US-20190038756-A1 COMPOSITIONS INCLUDING BENZENESULFONAMIDE-CONTAINING NON-STEROIDAL ANTI-INFLAMMATORY DRUGS, SILK FIBROIN, AND A GELLING AGENT AND USES THEREOF COCOON BIOTECH INC. 2019-02-07 US disclosed
EP-3413889-A1 COMPOSITIONS INCLUDING BENZENESULFONAMIDE-CONTAINING NON-STEROIDAL ANTI-INFLAMMATORY DRUGS SILK FIBROIN AND A GELLING AGENT AND USES THEREOF Cocoon Biotech Inc. (US) 2018-12-19 EP disclosed
WO-2017139684-A1 COMPOSITIONS INCLUDING BENZENESULFONAMIDE-CONTAINING NON-STEROIDAL ANTI-INFLAMMATORY DRUGS SILK FIBROIN AND A GELLING AGENT AND USES THEREOF COCOON BIOTECH INC. (US) 2017-08-17 WO disclosed
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 disclosed
US-5516907-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1996-05-14 US disclosed
US-5508426-A ANTIARTHRITIC AGENT G. D. SEARLE & CO. (US) 1996-04-16 US disclosed
US-5466823-A Antiinflammatory agents; FDA Orange book listed patent for Celebrex G.D. SEARLE & CO. (US) 1995-11-14 US disclosed
WO-1995015316-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G. D. SEARLE & CO. (US) 1995-06-08 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 (2 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 539/4885CYP2C9 1397/4885
US-20190038756-A1 COMPOSITIONS INCLUDING BENZENESULFONAMIDE-CONTAINING NON-STEROIDAL ANTI-INFLAMMATORY DRUGS, SILK FIBROIN, AND A GELLING AGENT AND USES THEREOF MB, PTGES, PTGS1 PTGS2 12/4885PTGS1 3/4885CYP2C9 584/4885

“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.