SCHEMBL7500980

SCHEMBL7500980

COc1c(Cl)cc(-c2oc(Cc3ccccc3)nc2-c2ccc(S(C)(=O)=O)cc2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.47
RXRA P19793 3/20 0.42
RXRB P28702 3/20 0.42
RXRG P48443 3/20 0.42
PTGS1 P23219 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL7500607 0.96 PTGS2 (0.47) PTGS2RXRARXRBRXRGPTGS1
SCHEMBL7499408 0.91 PTGS2 (0.47) PTGS2RXRARXRBRXRGPTGS1
SCHEMBL9026055 0.90 PTGS2 (0.46) PTGS2RXRARXRBRXRGPTGS1
SCHEMBL7505518 0.89 PTGS2 (0.54) PTGS2RXRARXRBRXRGPTGS1
SCHEMBL7505490 0.88 RXRA (0.55) PTGS2RXRARXRBRXRGPTGS1
SCHEMBL7501329 0.87 PTGS2 (0.55) PTGS2RXRARXRBRXRGPTGS1
SCHEMBL7503479 0.87 PTGS2 (0.47) PTGS2RXRARXRBRXRGPTGS1
SCHEMBL7507318 0.87 PTGS2 (0.47) PTGS2RXRARXRBRXRGPTGS1
SCHEMBL7502148 0.87 PTGS2 (0.50) PTGS2RXRARXRBPTGS1MAPT
SCHEMBL7502409 0.86 RXRA (0.53) PTGS2RXRARXRBRXRGPTGS1

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 9 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
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