SCHEMBL7108397

SCHEMBL7108397

Cc1ccc(-c2noc(C(F)F)c2-c2ccc(S(=O)(=O)O)c(F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.38
CSNK1D P48730 6/20 0.38
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
PTGS2 P35354 6/20 0.36
PTGS1 P23219 1/20 0.35
ALDH1A1 P00352 2/20 0.34
FFAR4 Q5NUL3 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
PAX8 Q06710 1/20 0.33
MT-CO2 P00403 1/20 0.33

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
SCHEMBL6722731 0.90 PTGS2 (0.42) MAPK14CSNK1DMAPK9MAPK10PTGS2
SCHEMBL7110955 0.90 MAPK14 (0.36) MAPK14CSNK1DMAPK9MAPK10PTGS2
SCHEMBL6730206 0.89 PTGS2 (0.47) MAPK14CSNK1DMAPK9MAPK10PTGS2
SCHEMBL6732859 0.82 PTGS2 (0.43) MAPK14CSNK1DMAPK9MAPK10PTGS2
SCHEMBL6722938 0.82 PTGS2 (0.39) MAPK14CSNK1DMAPK9MAPK10PTGS2
SCHEMBL6721948 0.81 PTGS2 (0.48) MAPK14CSNK1DMAPK9MAPK10PTGS2
SCHEMBL6735860 0.81 PTGS2 (0.44) MAPK14CSNK1DMAPK9MAPK10PTGS2
SCHEMBL7115446 0.81 BRD4 (0.40) PTGS2NPSR1MCOLN3
SCHEMBL6722029 0.81 PTGS2 (0.44) MAPK14CSNK1DMAPK9MAPK10PTGS2
SCHEMBL6723710 0.81 PTGS2 (0.45) MAPK14CSNK1DMAPK9MAPK10PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296971-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2003-04-02 EP disclosed
WO-2001081332-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2001-11-01 WO disclosed