SCHEMBL7507652

SCHEMBL7507652

COc1ccc(-c2oc(Cc3ccccc3)nc2-c2ccc(S(N)(=O)=O)cc2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.45
CA2 P00918 5/20 0.45
CA9 Q16790 5/20 0.45
CA1 P00915 4/20 0.45
CA12 O43570 3/20 0.45
MAPK1 P28482 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
PTGS1 P23219 6/20 0.44
CA14 Q9ULX7 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41

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
Benzenesulfonamide SCHEMBL8592756 0.99 PTGS2 (0.44) PTGS2CA2CA9CA1CA12
SCHEMBL7503476 0.96 PTGS2 (0.47) PTGS2CA2CA9CA1CA12
SCHEMBL7505718 0.91 PTGS2 (0.54) PTGS2CA2CA9CA1CA12
SCHEMBL7501679 0.91 PTGS2 (0.55) PTGS2MAPTPTGS1
SCHEMBL7498727 0.91 PTGS2 (0.44) PTGS2CA2CA9CA1CA12
SCHEMBL7507991 0.91 PTGS2 (0.49) PTGS2MAPK1PTGS1TSHRRXRA
SCHEMBL7508972 0.87 PTGS2 (0.46) PTGS2CA2CA9CA1CA12
SCHEMBL7505106 0.87 CA2 (0.48) PTGS2CA2CA9CA1CA12
SCHEMBL7507091 0.87 PTGS2 (0.56) PTGS2CA2CA9CA1CA12
SCHEMBL7505035 0.87 PTGS2 (0.57) PTGS2MAPTPTGS1

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
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