SCHEMBL6994786

SCHEMBL6994786

CCC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2ccncc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.45
CA1 P00915 5/20 0.45
PTGS2 P35354 8/20 0.42
CA9 Q16790 5/20 0.41
CA12 O43570 4/20 0.41
LRRK2 Q5S007 3/20 0.41

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
SCHEMBL7002870 0.88 PTGS2 (0.51) CA2CA1PTGS2CA9CA12
SCHEMBL7002929 0.87 PTGS2 (0.47) CA2CA1PTGS2CA9CA12
SCHEMBL6993143 0.87 PTGS2 (0.52) CA2CA1PTGS2CA9CA12
SCHEMBL6996457 0.86 CA2 (0.52) CA2CA1PTGS2CA9CA12
SCHEMBL6995288 0.86 KIF11 (0.51) CA2CA1PTGS2CA9CA12
SCHEMBL6999710 0.85 CA2 (0.49) CA2CA1PTGS2CA9CA12
SCHEMBL6999843 0.84 CA1 (0.42) CA2CA1PTGS2CA9CA12
SCHEMBL6995611 0.84 PTGS2 (0.44) CA2CA1PTGS2CA9CA12
SCHEMBL7001200 0.82 PTGS2 (0.43) PTGS2
SCHEMBL6999365 0.82 PTGS2 (0.41) CA2CA1PTGS2CA9CA12

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 6 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
EP-1109799-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP disclosed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO disclosed