SCHEMBL6978645

SCHEMBL6978645

CS(=O)(=O)c1ccc(-c2oc3ccccc3c(=S)c2-c2cccc(F)c2)cc1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.64
PTGS1 P23219 6/20 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
SCHEMBL6977248 0.89 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL6973175 0.88 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL6971466 0.88 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6982238 0.87 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6976650 0.87 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL6978876 0.85 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL6979318 0.85 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL6977368 0.83 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL6970812 0.82 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6979325 0.82 PTGS2 (0.63) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105384-B1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-03-26 EP claimed
US-6340694-B1 Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORPORATION (KR) 2002-01-22 US claimed
EP-1105384-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-13 EP claimed
WO-2000010993-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-03-02 WO claimed
EP-1105384-B1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-03-26 EP disclosed
US-6340694-B1 Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORPORATION (KR) 2002-01-22 US disclosed
EP-1105384-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-13 EP disclosed
WO-2000010993-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-03-02 WO disclosed