SCHEMBL7505232

SCHEMBL7505232

CS(=O)(=O)c1ccc(-c2oc(Cc3ccccc3)nc2-c2cccs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 17/20 0.48
▸ PTGS1 P23219 4/20 0.46
▸ SCD O00767 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ NCOA2 Q15596 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL7507694 0.91 PTGS2 (0.49) PTGS2PTGS1SCDALDH1A1MAPT
SCHEMBL7503734 0.89 CA2 (0.48) PTGS2PTGS1ALDH1A1KDM4EPPARG
SCHEMBL7504432 0.85 PTGS2 (0.66) PTGS2PTGS1KDM4E
SCHEMBL7502011 0.85 PTGS2 (0.66) PTGS2PTGS1KDM4E
SCHEMBL7508039 0.83 PTGS2 (0.66) PTGS2PTGS1ALDH1A1MAPT
SCHEMBL7509684 0.82 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7502679 0.82 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7505741 0.81 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL9026802 0.81 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL7511064 0.81 PTGS2 (0.57) PTGS2PTGS1ALDH1A1KDM4EMAPT

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 8 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
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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