SCHEMBL6991685

SCHEMBL6991685

CCC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2cc(Cl)cc(C(F)(F)F)c2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.39
KIF11 P52732 2/20 0.39
PTGS1 P23219 11/20 0.36
PDPK1 O15530 1/20 0.36
CHRNA7 P36544 1/20 0.34

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
SCHEMBL7001189 0.91 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6999365 0.90 PTGS2 (0.41) PTGS2PTGS1CHRNA7
SCHEMBL7002614 0.89 KIF11 (0.40) PTGS2KIF11PTGS1CHRNA7
SCHEMBL7002812 0.88 KIF11 (0.42) PTGS2KIF11PTGS1PDPK1
SCHEMBL6995288 0.87 KIF11 (0.51) PTGS2KIF11PTGS1PDPK1CHRNA7
SCHEMBL7001540 0.86 KIF11 (0.40) PTGS2KIF11PTGS1
SCHEMBL6993143 0.83 PTGS2 (0.52) PTGS2PTGS1CHRNA7
SCHEMBL7001917 0.83 CA2 (0.47) PTGS2PTGS1CHRNA7
SCHEMBL7001200 0.81 PTGS2 (0.43) PTGS2PTGS1CHRNA7
SCHEMBL7000289 0.80 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 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