SCHEMBL6996523

SCHEMBL6996523

CC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccc(-c3ccccc3)c(F)c2)C1=O

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.51
PTGS1 P23219 5/20 0.49

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
SCHEMBL6999759 0.90 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL7002073 0.87 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL7000923 0.86 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL6995448 0.86 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL6994338 0.85 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL7000001 0.85 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6996537 0.84 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL7003099 0.84 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL6994024 0.83 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7002463 0.83 PTGS2 (0.57) 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