SCHEMBL7501042

SCHEMBL7501042

COc1ccc(-c2nc(Cc3ccccc3)oc2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.55
PPARD Q03181 2/20 0.46
PTGS1 P23219 1/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
GSK3B P49841 1/20 0.44
RAB9A P51151 2/20 0.44
NR4A2 P43354 1/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL7498353 1.00 PTGS2 (0.55) PTGS2PPARDPTGS1RXRARXRB
SCHEMBL7502148 0.91 PTGS2 (0.50) PTGS2PPARDPTGS1RXRARXRB
SCHEMBL7509586 0.91 PTGS2 (0.50) PTGS2PPARDPTGS1RXRARXRB
SCHEMBL7504432 0.91 PTGS2 (0.66) PTGS2PTGS1RXRARXRBNR4A2
SCHEMBL7502011 0.91 PTGS2 (0.66) PTGS2PTGS1RXRARXRBNR4A2
SCHEMBL7504923 0.90 KDR (0.48) PTGS2PPARDPTGS1RXRARXRB
SCHEMBL7510313 0.90 KDR (0.48) PTGS2PPARDPTGS1RXRARXRB
SCHEMBL7501053 0.89 RXRA (0.59) PTGS2PPARDPTGS1RXRARXRB
SCHEMBL7504268 0.89 RXRA (0.53) PTGS2PPARDPTGS1RXRARXRB
SCHEMBL7506415 0.89 PTGS2 (0.60) 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-0699192-B1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-07-24 EP claimed
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP claimed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO claimed
EP-0699192-B1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-07-24 EP disclosed
US-6090834-A ANALGESICS; RHEUMATIC DISORDERS; SKIN DISORDERS; GASTROINTESTINAL DISORDERS G.D. SEARLE & CO. (US) 2000-07-18 US disclosed
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP disclosed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO disclosed