SCHEMBL7002299

SCHEMBL7002299

CCC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2csc(F)c2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.36
PTGS1 P23219 10/20 0.36
CHRNA7 P36544 2/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
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
SCHEMBL6997921 0.90 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6998585 0.87 PTGS2 (0.39) PTGS2PTGS1CA12CA2CA9
SCHEMBL7001200 0.84 PTGS2 (0.43) PTGS2PTGS1CHRNA7
SCHEMBL7002929 0.84 PTGS2 (0.47) PTGS2PTGS1CA12CA1CA2
SCHEMBL6997972 0.84 PTGS2 (0.36) PTGS2PTGS1CHRNA7CA12CA1
SCHEMBL7000289 0.84 PTGS2 (0.46) PTGS2PTGS1CA1CA2
SCHEMBL6997291 0.82 PTGS2 (0.37) PTGS2PTGS1CHRNA7KDM4EMEN1
SCHEMBL6999679 0.82 PTGS2 (0.36) PTGS2PTGS1CA12CA1CA2
SCHEMBL6999067 0.82 PTGS2 (0.48) PTGS2PTGS1CA12CA1CA2
SCHEMBL6995611 0.81 PTGS2 (0.44) PTGS2PTGS1CA12CA1CA2

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