SCHEMBL7002176

SCHEMBL7002176

CC1(C)OC(c2ccc(S(N)(=O)=O)c(F)c2)=C(c2ccc([N+](=O)[O-])cc2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.40
CA2 P00918 9/20 0.40
CA9 Q16790 9/20 0.40
CA12 O43570 8/20 0.40
CA14 Q9ULX7 5/20 0.40
PTGS2 P35354 4/20 0.39
PTGS1 P23219 2/20 0.39
CA13 Q8N1Q1 2/20 0.37
CA5A P35218 2/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HIF1A Q16665 1/20 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
SCHEMBL6997078 0.90 PTGS2 (0.37) PTGS2PTGS1LMNAHTTSMN1; SMN2
SCHEMBL6999336 0.88 PTGS2 (0.50) PTGS2PTGS1BRAF
SCHEMBL7851062 0.87 CA12 (0.41) CA1CA2CA9CA12CA14
SCHEMBL6998318 0.86 PTGS2 (0.41) PTGS2PTGS1BRAF
SCHEMBL6997334 0.86 PTGS2 (0.41) CA1CA2CA9CA12CA14
SCHEMBL7003332 0.85 PTGS2 (0.41) CA1CA2CA9CA12PTGS2
SCHEMBL3223651 0.85 PTGS2 (0.42) PTGS2PTGS1BRAF
SCHEMBL3228803 0.84 PTGS2 (0.44) CA1CA2CA9CA12PTGS2
SCHEMBL6996465 0.83 KIF11 (0.40) PTGS2PTGS1
SCHEMBL6995636 0.81 PTGS2 (0.39) PTGS2PTGS1BRAF

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