SCHEMBL8302968

SCHEMBL8302968

CCOc1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c(C(C)(F)F)n1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.50
PTGS1 P23219 1/20 0.46

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
SCHEMBL213640 0.93 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL8040705 0.84 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8040663 0.83 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8053210 0.83 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL213154 0.81 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL215649 0.80 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8051589 0.79 ALOX5 (0.41) PTGS2PTGS1
SCHEMBL8040656 0.79 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL8051576 0.76 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL8040698 0.75 PTGS2 (0.46) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004093814-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SODIUM CHANNEL BLOCKER PHARMACIA CORPORATION (US) 2004-11-04 WO disclosed