SCHEMBL6970812

SCHEMBL6970812

Cc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)oc3ccccc3c2=S)cc1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.64
PTGS1 P23219 2/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
RET P07949 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
KDR P35968 1/20 0.47
HTT P42858 1/20 0.47
MAOB P27338 1/20 0.43

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
SCHEMBL6982238 0.92 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6981954 0.89 PTGS2 (0.62) PTGS2PTGS1RET
SCHEMBL6977248 0.89 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL6971466 0.88 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6976783 0.87 PTGS2 (0.60) PTGS2MAOB
SCHEMBL6973940 0.86 PTGS2 (0.69) PTGS2PTGS1LMNATP53RET
SCHEMBL6978534 0.86 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL6978726 0.85 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL6977368 0.83 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL6976650 0.82 PTGS2 (0.58) 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 10 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-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
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