SCHEMBL213569

SCHEMBL213569

COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 1.00
PTGS1 P23219 10/20 1.00
PDPK1 O15530 3/20 0.77
CYP2C9 P11712 2/20 0.77
PTGES O14684 1/20 0.77
HDAC3 O15379 1/20 0.77
CA12 O43570 1/20 0.77
PDE5A O76074 1/20 0.77
ABCB11 O95342 1/20 0.77
MT-CO2 P00403 1/20 0.77
CA1 P00915 1/20 0.77
CA2 P00918 1/20 0.77
LMNA P02545 1/20 0.77
CA3 P07451 1/20 0.77
CYP3A4 P08684 1/20 0.77
ALOX5 P09917 1/20 0.77
ADORA3 P0DMS8 1/20 0.77
CYP2D6 P10635 1/20 0.77
ADRB3 P13945 1/20 0.77
ALOX15 P16050 1/20 0.77

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
SCHEMBL6350879 1.00 PTGS2 (1.00) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL6013958 0.91 PTGS2 (0.84) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL6342351 0.90 PTGS2 (0.90) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL7461840 0.89 PTGS2 (0.81) PTGS2PTGS1CYP2C9CYP3A4TSHR
SCHEMBL7112386 0.89 PTGS2 (1.00) PTGS2PTGS1CYP2C9CYP3A4TSHR
Sulfamide SCHEMBL7135579 0.88 PTGS2 (0.79) PTGS2PTGS1PDPK1CYP2C9CYP3A4
SCHEMBL3243294 0.88 PTGS2 (0.79) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL6369074 0.88 PTGS2 (0.78) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL6342601 0.88 PTGS2 (1.00) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL6013900 0.88 PTGS2 (0.78) PTGS2PTGS1PDPK1CYP2C9PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3917908-B1 A CONTINUOUS FLOW MICRO-TOTAL PROCESS SYSTEM FOR PREPARATION OF CELECOXIB AND ANALOGS THEREOF COUNCIL SCIENT IND RES (IN) 2024-08-14 EP claimed
EP-3917908-A1 A CONTINUOUS FLOW MICRO-TOTAL PROCESS SYSTEM FOR PREPARATION OF CELECOXIB AND ANALOGS THEREOF Council of Scientific & Industrial Research (IN) 2021-12-08 EP claimed
WO-2020157771-A1 A CONTINUOUS FLOW MICRO-TOTAL PROCESS SYSTEM FOR PREPARATION OF CELECOXIB AND ANALOGS THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2020-08-06 WO claimed
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
CN-100558356-C The method that using cyclooxygenase-2-inhibitor 2 treatment and prophylaxis of tumours form G D SIORL & CO (US) 2009-11-11 CN claimed
EP-1146789-B1 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/NEU CORNELL RES FOUNDATION INC (US) 2009-03-18 EP claimed
EP-1977749-A1 Use of cyclooxygenase-2 inhibitors in the treatment and prevention of neoplasia G.D. Searle LLC (US) 2008-10-08 EP claimed
CN-1332661-C Methods of treating and preventing neoplasia using cyclooxygenase-2 inhibitors SEARLE & CO (US) 2007-08-22 CN claimed
CN-1767835-A Compositions comprising cyclooxygenase-2 selective inhibitors and glucosamine for the treatment and prevention of pain and inflammation PHARMACIA CORP (US) 2006-05-03 CN claimed
EP-0833622-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR G.D. SEARLE & CO. (US) 1998-04-08 EP claimed
EP-0833664-A1 COMBINATION OF A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE B 4? RECEPTOR ANTAGONIST FOR THE TREATMENT OF INFLAMMATIONS G.D. SEARLE & CO. (US) 1998-04-08 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
WO-1996041645-A1 COMBINATION OF A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE B4 RECEPTOR ANTAGONIST FOR THE TREATMENT OF INFLAMMATIONS G.D. SEARLE & CO. (US) 1996-12-27 WO claimed
WO-1996041626-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR G.D. SEARLE & CO. (US) 1996-12-27 WO claimed
WO-1996041625-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A4 HYDROLASE INHIBITOR G.D. SEARLE & CO. (US) 1996-12-27 WO 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