SCHEMBL7502006

SCHEMBL7502006

Cc1cc(F)ccc1-c1nc(Cc2ccccc2)oc1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 13/20 0.50
▸ PTGS1 P23219 6/20 0.50
▸ CA1 P00915 4/20 0.43
▸ CA2 P00918 4/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ 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
SCHEMBL7505567 0.92 PTGS2 (0.50) PTGS2PTGS1CA1CA2CA12
SCHEMBL7502608 0.91 PTGS2 (0.49) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL7503499 0.90 CA1 (0.51) PTGS2PTGS1CA1CA2CA12
SCHEMBL7507771 0.90 PTGS2 (0.47) PTGS2PTGS1CA1CA2CA12
SCHEMBL7506418 0.88 MAPT (0.44) PTGS2PTGS1CA1CA2CA12
SCHEMBL7501473 0.88 PTGS2 (0.47) PTGS2PTGS1CA1CA2CA12
SCHEMBL7504983 0.88 RXRA (0.53) PTGS2PTGS1CA1CA2CA12
SCHEMBL7507985 0.88 CA2 (0.46) PTGS2PTGS1CA1CA2CA12
SCHEMBL7505619 0.86 PTGS2 (0.45) PTGS2PTGS1CA1CA2CA12
SCHEMBL7505500 0.85 PTGS2 (0.61) 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 6 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
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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