SCHEMBL6997353

SCHEMBL6997353

CC1(C)OC(c2ccc(S(C)(=O)=O)cc2F)=C(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.43
PTGS1 P23219 3/20 0.43
ELANE P08246 5/20 0.40
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
IDH2 P48735 1/20 0.37
NR1I2 O75469 1/20 0.35
CACNA1B Q00975 1/20 0.35

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
SCHEMBL7000249 0.91 KDM4E (0.39) PTGS2PTGS1ELANEAKR1C3AKR1C2
SCHEMBL6997585 0.87 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL6996469 0.86 PTGS2 (0.50) PTGS2PTGS1ELANE
SCHEMBL6994338 0.86 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6995060 0.85 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6997443 0.84 AKR1C3 (0.38) PTGS1AKR1C3AKR1C2
SCHEMBL6995804 0.83 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7002103 0.82 AKR1C3 (0.38) PTGS1AKR1C3AKR1C2
SCHEMBL6997003 0.82 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6999885 0.82 PTGS2 (0.50) 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