SCHEMBL6994091

SCHEMBL6994091

CC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2csc(F)c2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.44
PTGS1 P23219 10/20 0.44

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
SCHEMBL6998585 0.89 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL6997921 0.86 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL7001297 0.83 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6995425 0.83 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL6998272 0.82 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6991394 0.82 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7000923 0.81 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7000001 0.81 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7001909 0.80 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL7003099 0.80 PTGS2 (0.69) 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
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP claimed