SCHEMBL7003225

SCHEMBL7003225

CC1(C)OC(c2ccc(S(N)(=O)=O)c(Cl)c2)=C(c2ccc(Cl)cc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.40
CA12 O43570 8/20 0.39
CA1 P00915 8/20 0.39
CA2 P00918 8/20 0.39
CA9 Q16790 8/20 0.39
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
PGR P06401 1/20 0.34
CA7 P43166 2/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
BRAF P15056 1/20 0.33
PTGS1 P23219 3/20 0.33

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
SCHEMBL6999240 0.92 MAOB (0.40) PTGS2CA12CA1CA2CA9
SCHEMBL6997983 0.91 PTGS2 (0.38) PTGS2CA12CA1CA2CA9
SCHEMBL7003050 0.89 PTGS2 (0.39) PTGS2CA12CA1CA2CA9
SCHEMBL6998000 0.89 PTGS2 (0.42) PTGS2PGRPTGS1
SCHEMBL6994546 0.89 PTGS2 (0.40) PTGS2CDK2GSK3BPGRBRAF
SCHEMBL6999791 0.89 PGR (0.40) PTGS2CA12CA1CA2CA9
SCHEMBL7003332 0.88 PTGS2 (0.41) PTGS2CA12CA1CA2CA9
SCHEMBL7002262 0.87 PTGS2 (0.38) PTGS2CA12CA1CA2CA9
SCHEMBL3232556 0.84 PTGS2 (0.45) PTGS2CDK2GSK3BPGRBRAF
SCHEMBL7000963 0.83 BRAF (0.44) PTGS2PGRBRAFPTGS1

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