SCHEMBL7508181

SCHEMBL7508181

CS(=O)(=O)c1ccc(-c2oc(Cc3ccccc3)nc2-c2cc(F)ccc2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 17/20 0.50
▸ PTGS1 P23219 3/20 0.47
▸ TGFBR1 P36897 1/20 0.44
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ JAK3 P52333 1/20 0.42

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
SCHEMBL7505720 0.92 PTGS2 (0.53) PTGS2PTGS1TGFBR1JAK2JAK1
SCHEMBL7510767 0.92 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7501473 0.90 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL7500791 0.89 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7502608 0.89 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7505741 0.87 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7501033 0.86 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7506696 0.86 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL7509543 0.86 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7506306 0.85 PTGS2 (0.53) 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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