SCHEMBL7033183

SCHEMBL7033183

NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCCC3)cc1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.96
PTGS1 P23219 12/20 0.96
PDPK1 O15530 5/20 0.71
CYP2C9 P11712 2/20 0.68
PTGES O14684 1/20 0.67
HDAC3 O15379 1/20 0.67
CA12 O43570 1/20 0.67
PDE5A O76074 1/20 0.67
ABCB11 O95342 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
ALOX15 P16050 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
SCHEMBL6339777 0.98 PTGS2 (1.00) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL6342351 0.86 PTGS2 (0.90) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL6341689 0.86 PTGS2 (0.89) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL6339048 0.86 PTGS2 (1.00) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL6724044 0.86 PTGS2 (0.85) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL5428436 0.84 PTGS2 (0.72) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL8032928 0.83 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL6341664 0.83 PTGS2 (1.00) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL6180559 0.82 PTGS2 (0.74) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL8688622 0.82 PTGS2 (0.66) PTGS2PTGS1PDPK1CYP2C9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922697-B1 Substituted Pyrazolyl benzenesulfonamides and their use as cyclooxygenase II inhibitors SEARLE & CO (US) 2003-02-26 EP claimed
CN-101242875-A Ophthalmic composition containing mucoadhesive polysaccharides capable of promoting corneal re-epithelialization OPOCRIN SPA (IT) 2008-08-13 CN disclosed
US-6586603-B1 Forming 4-(5-(4-chlorophenyl)-3-trifluoromethyl)-1H-pyrazol-1 -yl)benzenesulfonamide used as antiinflammatory agents; side effect reduction G.D. SEARLE & CO. 2003-07-01 US disclosed
CN-1339020-A Process for producing vitamin DCV INC (US) 2002-03-06 CN disclosed
CN-1280125-A Substituted pyrazolyl benzene sulfone amides compounds for curing inflammation SEARLE & CO (US) 2001-01-17 CN disclosed
CN-1280126-A Substituted pyrazolyl benzenesulfonamides for treating inflammation SEARLE & CO (US) 2001-01-17 CN disclosed
CN-1202828-A Substituted pyrzolyl benzenesulfonanides for use in veterinary SEARLE & CO (US) 1998-12-23 CN disclosed
CN-1141630-A Substituted pyrazolyl benzenesulfonamides for treating inflammation SEARLE & CO (US) 1997-01-29 CN disclosed