SCHEMBL1908534

SCHEMBL1908534

CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)(C)C)c3)[C@H]2O)cc(F)c1NC(=O)COC

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.82
CTSD P07339 18/20 0.82

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
SCHEMBL1908519 0.90 BACE1 (0.82) BACE1CTSD
SCHEMBL1908520 0.81 BACE1 (0.84) BACE1CTSD
SCHEMBL1908536 0.79 CTSD (0.88) BACE1CTSD
SCHEMBL1908537 0.79 BACE1 (0.78) BACE1CTSD
SCHEMBL310003 0.78 CTSD (1.00) BACE1CTSD
SCHEMBL1908513 0.77 CTSD (1.00) BACE1CTSD
SCHEMBL1908524 0.77 BACE1 (1.00) BACE1CTSD
SCHEMBL1908510 0.76 CTSD (1.00) BACE1CTSD
SCHEMBL309404 0.76 BACE1 (0.65) BACE1CTSD
SCHEMBL310267 0.75 CTSD (1.00) BACE1CTSD

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
US-8093406-B2 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2012-01-10 US disclosed
US-8093406-B2 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2012-01-10 US disclosed