SCHEMBL7501928

SCHEMBL7501928

COc1c(F)cccc1-c1oc(Cc2ccccc2)nc1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 18/20 0.46
▸ PTGS1 P23219 3/20 0.41
▸ RXRA P19793 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
SCHEMBL7506253 0.92 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7506144 0.91 PTGS2 (0.41) PTGS2PTGS1RXRA
SCHEMBL7503061 0.89 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7507004 0.89 PTGS2 (0.45) PTGS2PTGS1RXRA
SCHEMBL7506065 0.87 PTGS2 (0.48) PTGS2PTGS1RXRA
SCHEMBL7505563 0.85 RXRA (0.56) PTGS2PTGS1RXRA
SCHEMBL7507197 0.85 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7503463 0.85 PTGS2 (0.47) PTGS2PTGS1RXRA
SCHEMBL7504750 0.84 PTGS2 (0.46) PTGS2PTGS1RXRA
SCHEMBL7507254 0.84 PTGS2 (0.41) 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 7 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 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
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