SCHEMBL8549844

SCHEMBL8549844

COc1ccc(-c2nc(CO)oc2-c2ccccc2S(N)(=O)=O)cc1F

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.52
PTGS1 P23219 9/20 0.52
RXRA P19793 1/20 0.42
ALOX5AP P20292 3/20 0.40
FEN1 P39748 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
F10 P00742 1/20 0.39
CA4 P22748 1/20 0.38

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
SCHEMBL8561414 0.89 PTGS2 (0.47) PTGS2PTGS1RXRAALOX5APFEN1
SCHEMBL6315005 0.88 PTGS2 (0.45) PTGS2PTGS1RXRAALOX5APFEN1
SCHEMBL6315419 0.87 PTGS2 (0.44) PTGS2PTGS1RXRAALOX5APFEN1
SCHEMBL6315591 0.87 PTGS2 (0.44) PTGS2PTGS1RXRAALOX5APFEN1
SCHEMBL6310277 0.85 RXRA (0.47) PTGS2PTGS1RXRAF10
SCHEMBL8549849 0.84 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL6308551 0.84 RXRA (0.44) PTGS2PTGS1RXRAF10
SCHEMBL8556142 0.82 PTGS2 (0.46) PTGS2PTGS1RXRAALOX5APFEN1
Methane SCHEMBL6310824 0.81 PTGS2 (0.48) PTGS2PTGS1ALOX5APFEN1L3MBTL1
SCHEMBL8560736 0.81 PTGS2 (0.47) PTGS2PTGS1RXRAALOX5APFEN1

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-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP claimed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO claimed
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed