SCHEMBL760502

SCHEMBL760502

O=C(O)N1CCOc2ccc(Oc3cccc(-c4nccs4)c3)cc2S1(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
GPR142 Q7Z601 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3R2 O00459 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PIK3R5 Q8WYR1 1/20 0.36
PIK3R3 Q92569 1/20 0.36
GAA P10253 2/20 0.36
CARM1 Q86X55 1/20 0.36
CASR P41180 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
CTSA P10619 1/20 0.35
SYK P43405 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
PRKDC P78527 1/20 0.34

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
SCHEMBL782217 0.88 GPR119 (0.38) FFAR1ABL1BCRGPR142PIK3CD
SCHEMBL756393 0.82 GPR142 (0.38) GPR142PIK3CDGAAFAAHHCRTR1
SCHEMBL759900 0.81 FAAH (0.44) FFAR1GPR142FAAH
SCHEMBL758224 0.79 KEAP1 (0.42) FFAR1ABL1BCRPIK3CDGAA
SCHEMBL759673 0.74 MAPT (0.43) FAAH
SCHEMBL782067 0.72 BACE1 (0.38) GPR142FAAH
SCHEMBL758615 0.71 TDP1 (0.45) FFAR1FAAH
SCHEMBL765579 0.71 LMNA (0.51) GPR142GAA
SCHEMBL781918 0.69 FAAH (0.39) FFAR1GPR142FAAH
SCHEMBL760249 0.67 LMNA (0.37) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431360-B1 Derivatives of dihydrobenzoxathiazepine, method of preparing same and pharmaceutical compositions containing them as well as their uses as modulators of AMPA receptors SERVIER LAB (FR) 2013-04-17 EP disclosed
EP-2431360-A1 Derivatives of dihydrobenzoxathiazepine, method of preparing same and pharmaceutical compositions containing them as well as their uses as modulators of AMPA receptors Les Laboratoires Servier (FR) 2012-03-21 EP disclosed