SCHEMBL6997975

SCHEMBL6997975

CCC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2sccc2F)C1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.41
PTGS1 P23219 12/20 0.41
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7675002 0.90 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL6999628 0.87 PTGS2 (0.44) PTGS2PTGS1CA2CA12CA9
SCHEMBL7002929 0.82 PTGS2 (0.47) PTGS2PTGS1CA1CA2CA12
SCHEMBL7000289 0.81 PTGS2 (0.46) PTGS2PTGS1CA1CA2
SCHEMBL7002299 0.81 PTGS2 (0.36) PTGS2PTGS1CA1CA2CA12
SCHEMBL7001200 0.80 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6997972 0.80 PTGS2 (0.36) PTGS2PTGS1CA1CA2CA12
SCHEMBL7001385 0.80 PTGS2 (0.37) PTGS2PTGS1CA1CA2CA12
SCHEMBL6999679 0.80 PTGS2 (0.36) PTGS2PTGS1CA1CA2CA12
SCHEMBL6996125 0.79 PTGS2 (0.42) 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