SCHEMBL7501908

SCHEMBL7501908

NS(=O)(=O)c1ccc(-c2nc(Cc3ccccc3)oc2-c2ccc(Cl)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 13/20 0.54
▸ PTGS1 P23219 11/20 0.54
▸ CA1 P00915 5/20 0.46
▸ CA2 P00918 5/20 0.46
▸ CA12 O43570 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 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
SCHEMBL7500833 0.93 PTGS2 (0.65) PTGS2PTGS1CA1CA2CA12
SCHEMBL7507713 0.89 PTGS2 (0.65) PTGS2PTGS1MAPTALDH1A1LMNA
SCHEMBL7504153 0.84 RXRA (0.53) PTGS2PTGS1CA1CA2CA12
SCHEMBL7505978 0.84 RXRA (0.53) PTGS2PTGS1CA1CA2CA12
SCHEMBL7503191 0.84 CA1 (0.55) PTGS2PTGS1CA1CA2CA12
SCHEMBL7501428 0.84 CA1 (0.55) PTGS2PTGS1CA1CA2CA12
SCHEMBL7503097 0.84 CA2 (0.48) PTGS2PTGS1CA1CA2CA12
SCHEMBL8556213 0.83 PTGS1 (0.40) PTGS2PTGS1CA1CA2CA12
SCHEMBL7500825 0.83 NR4A2 (0.55) PTGS2PTGS1CA1CA2CA12
SCHEMBL7506169 0.83 RXRA (0.53) PTGS2PTGS1CA1CA2CA12

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
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 — — EP 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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