SCHEMBL213124

SCHEMBL213124

COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.84
PTGS1 P23219 12/20 0.81
ABCB11 O95342 2/20 0.73
ALDH1A1 P00352 1/20 0.73
PDPK1 O15530 3/20 0.67
CYP2C9 P11712 2/20 0.67
PTGES O14684 1/20 0.67
HDAC3 O15379 1/20 0.67
CA12 O43570 1/20 0.67
PDE5A O76074 1/20 0.67
MT-CO2 P00403 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
LMNA P02545 1/20 0.67
CA3 P07451 1/20 0.67
CYP3A4 P08684 1/20 0.67
ALOX5 P09917 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
CYP2D6 P10635 1/20 0.67
ADRB3 P13945 1/20 0.67

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
SCHEMBL6350722 0.93 PTGS2 (0.72) PTGS2PTGS1ABCB11ALDH1A1PDPK1
SCHEMBL6344048 0.92 PTGS2 (0.71) PTGS2PTGS1ABCB11ALDH1A1PDPK1
SCHEMBL6013938 0.91 PTGS2 (1.00) PTGS2PTGS1ABCB11PDPK1CYP2C9
SCHEMBL13945111 0.89 PTGS2 (0.67) PTGS2PTGS1ABCB11ALDH1A1CYP2C9
Sulfamide SCHEMBL7145910 0.89 PTGS2 (0.67) PTGS2PTGS1ABCB11ALDH1A1PDPK1
SCHEMBL6341527 0.89 PTGS2 (1.00) PTGS2PTGS1ABCB11PDPK1CYP2C9
Deracoxib SCHEMBL6909431 0.89 PTGS2 (0.80) PTGS2PTGS1ABCB11ALDH1A1PDPK1
SCHEMBL6340118 0.88 PTGS2 (0.82) PTGS2PTGS1ABCB11PDPK1CYP2C9
SCHEMBL7796481 0.88 PTGS2 (0.82) PTGS2PTGS1ABCB11PDPK1CYP2C9
SCHEMBL6349806 0.88 PTGS2 (1.00) PTGS2PTGS1ABCB11PDPK1CYP2C9

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 387 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
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-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-0843549-B1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A 4 HYDROLASE INHIBITOR SEARLE & CO (US) 2006-04-12 EP claimed
CN-1697654-A Use of COx-2 inhibitors in combination with antiviral agents for the treatment of papilloma virus infections UPJOHN CO (US) 2005-11-16 CN claimed
EP-0833622-B8 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR SEARLE & CO (US) 2005-10-12 EP claimed
CN-1660083-A Method of using benzenesulphoamides that are cyclooxygenase-2-inhibitors in the treatment and prevention of neoplasia G D SIORL & CO (US) 2005-08-31 CN claimed
EP-0833622-B1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR SEARLE & CO (US) 2005-08-10 EP claimed
WO-1998016227-A1 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE TREATMENT AND PREVENTION OF NEOPLASIA G.D. SEARLE & CO. (US) 1998-04-23 WO 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
WO-1995015316-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G. D. SEARLE & CO. (US) 1995-06-08 WO claimed