SCHEMBL3239886

SCHEMBL3239886

CSc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.77
PTGS1 P23219 12/20 0.77
ABCB11 O95342 2/20 0.64
ALDH1A1 P00352 1/20 0.64
PDPK1 O15530 2/20 0.53
PTGES O14684 1/20 0.53
HDAC3 O15379 1/20 0.53
CA12 O43570 1/20 0.53
PDE5A O76074 1/20 0.53
MT-CO2 P00403 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
LMNA P02545 1/20 0.53
CA3 P07451 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX5 P09917 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
ADRB3 P13945 1/20 0.53

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
SCHEMBL8953830 0.90 PTGS2 (0.61) PTGS2PTGS1CYP2C9
SCHEMBL213150 0.87 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1PDPK1
SCHEMBL3243184 0.87 PTGS2 (0.82) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL6352647 0.86 PTGS2 (0.80) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL5608566 0.85 PTGS2 (0.79) PTGS2PTGS1ABCB11ALDH1A1PDPK1
SCHEMBL3249718 0.85 PTGS2 (0.95) PTGS2PTGS1ABCB11ALDH1A1PDPK1
SCHEMBL6339240 0.85 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1PDPK1
SCHEMBL212658 0.85 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1PDPK1
SCHEMBL7789562 0.85 PTGS2 (0.78) PTGS2PTGS1ABCB11ALDH1A1PDPK1
SCHEMBL215341 0.84 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1PDPK1

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 58 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-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-0731795-B1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1999-12-22 EP claimed
EP-0923933-A1 Substituted pyrazolyl benzenesulfonamides for use in the treatment of inflammation G.D. SEARLE & CO. (US) 1999-06-23 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
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
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 (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-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 3/4885ABCB11 1365/4885

“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.