SCHEMBL6995288

SCHEMBL6995288

CCC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2ccc(C(F)(F)F)cc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.51
PTGS2 P35354 12/20 0.44
PTGS1 P23219 4/20 0.44
CHRNA7 P36544 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MAPT P10636 1/20 0.39
CA9 Q16790 1/20 0.39
CYP2C9 P11712 1/20 0.38
PDPK1 O15530 1/20 0.38

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
SCHEMBL7001486 0.90 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL7001540 0.88 KIF11 (0.40) KIF11PTGS2PTGS1CA12CA1
SCHEMBL7002614 0.87 KIF11 (0.40) KIF11PTGS2PTGS1CHRNA7
SCHEMBL7002929 0.87 PTGS2 (0.47) PTGS2PTGS1CA12CA1CA2
SCHEMBL6991685 0.87 PTGS2 (0.39) KIF11PTGS2PTGS1CHRNA7PDPK1
SCHEMBL6994786 0.86 CA2 (0.45) PTGS2CA12CA1CA2CA9
SCHEMBL7002870 0.86 PTGS2 (0.51) PTGS2PTGS1CA12CA1CA2
SCHEMBL6993143 0.85 PTGS2 (0.52) PTGS2PTGS1CHRNA7CA12CA1
SCHEMBL7001200 0.83 PTGS2 (0.43) PTGS2PTGS1CHRNA7
SCHEMBL6999843 0.82 CA1 (0.42) PTGS2CA12CA1CA2MAPT

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