SCHEMBL7003323

SCHEMBL7003323

CC1(C)OC(c2ccc(S(N)(=O)=O)cc2F)=C(c2ccc(F)c(F)c2)C1=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.46
PTGS1 P23219 16/20 0.46
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40

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
SCHEMBL3228727 0.90 PTGS2 (0.46) PTGS2PTGS1CA12CA1CA2
SCHEMBL6995804 0.90 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6993821 0.88 PTGS2 (0.50) PTGS2PTGS1CA1CA2
SCHEMBL3231323 0.87 PTGS2 (0.41) PTGS2PTGS1CA12CA1CA2
SCHEMBL6993214 0.87 PTGS2 (0.42) PTGS2PTGS1CA12CA1CA2
SCHEMBL6997219 0.87 CA1 (0.41) PTGS2PTGS1CA12CA1CA2
SCHEMBL7001723 0.87 PTGS2 (0.48) PTGS2PTGS1CA12CA1CA2
SCHEMBL6993926 0.84 CA1 (0.40) PTGS2PTGS1CA12CA1CA2
SCHEMBL7001634 0.84 CA1 (0.41) PTGS2PTGS1CA12CA1CA2
SCHEMBL7000249 0.83 KDM4E (0.39) 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