SCHEMBL6969962

SCHEMBL6969962

COc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)oc3cc(F)ccc3c2=O)cn1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.48
KCNH2 Q12809 1/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGS1 P23219 2/20 0.42
TDO2 P48775 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL6978114 0.92 PTGS2 (0.51) PTGS2KCNH2MEN1KMT2AL3MBTL1
SCHEMBL6975319 0.91 CA1 (0.53) PTGS2KCNH2MEN1KMT2AL3MBTL1
SCHEMBL6973977 0.88 PTGS2 (0.53) PTGS2PTGS1TDO2
SCHEMBL6978281 0.88 L3MBTL1 (0.57) PTGS2KCNH2MEN1KMT2AL3MBTL1
SCHEMBL6973900 0.85 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6977438 0.83 CA1 (0.53) PTGS2KCNH2MEN1KMT2AL3MBTL1
SCHEMBL6972454 0.82 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL6971876 0.81 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6975494 0.79 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6981008 0.78 L3MBTL1 (0.56) PTGS2MEN1KMT2AL3MBTL1PTGS1

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
CN-1323301-A Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2001-11-21 CN 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
CN-1323301-A Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2001-11-21 CN 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