SCHEMBL7002812

SCHEMBL7002812

CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2cc(Cl)cc(C(F)(F)F)c2)C1=O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.42
PTGS2 P35354 16/20 0.41
PTGS1 P23219 11/20 0.39
PDPK1 O15530 1/20 0.39

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
SCHEMBL6995322 0.90 PTGS2 (0.43) KIF11PTGS2PTGS1
SCHEMBL7000063 0.89 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL7001802 0.88 KIF11 (0.43) KIF11PTGS2PTGS1
SCHEMBL6991685 0.88 PTGS2 (0.39) KIF11PTGS2PTGS1PDPK1
SCHEMBL7000891 0.86 PGR (0.43) PTGS2PTGS1
SCHEMBL6996692 0.85 RXRA (0.42) KIF11PTGS2PTGS1
SCHEMBL6996080 0.85 KIF11 (0.44) KIF11PTGS2PTGS1
SCHEMBL6993481 0.84 NOTUM (0.36)
SCHEMBL6999589 0.82 PTGS2 (0.45) KIF11PTGS2PTGS1
SCHEMBL6998878 0.81 PTGS2 (0.57) 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 4 patents. 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
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US claimed
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP disclosed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed