SCHEMBL7512154

SCHEMBL7512154

COc1cccc(Cl)c1-c1oc(Cc2ccccc2)nc1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.43
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
RXRA P19793 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PTGS1 P23219 3/20 0.38

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
SCHEMBL7503087 0.93 PTGS2 (0.47) PTGS2JAK2JAK3RXRAITGB1
SCHEMBL7508771 0.92 PTGS2 (0.45) PTGS2JAK2JAK3ITGB1ITGA4
SCHEMBL7501400 0.91 CA2 (0.47) PTGS2RXRAALDH1A1LMNAMAPT
SCHEMBL7511138 0.91 PTGS2 (0.49) PTGS2RXRAALDH1A1LMNAMAPT
SCHEMBL7503463 0.89 PTGS2 (0.47) PTGS2JAK2JAK3RXRAITGB1
SCHEMBL7503014 0.87 PTGS2 (0.48) PTGS2JAK2JAK3RXRAALDH1A1
SCHEMBL7506522 0.87 PTGS2 (0.47) PTGS2JAK2JAK3RXRAITGB1
SCHEMBL7505518 0.85 PTGS2 (0.54) PTGS2RXRAPTGS1
SCHEMBL7507318 0.85 PTGS2 (0.47) PTGS2RXRAALDH1A1LMNAMAPT
SCHEMBL7505563 0.85 RXRA (0.56) PTGS2JAK2JAK3RXRAPTGS1

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