SCHEMBL309085

SCHEMBL309085

CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H]3[C@H]2OC(=O)N3Cc2cccc(C(C)(C)C)c2)cc(F)c1N

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSD P07339 20/20 0.58
BACE1 P56817 20/20 0.58

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
SCHEMBL3222172 0.93 CTSD (0.54) CTSDBACE1
SCHEMBL4260201 0.92 CTSD (0.61) CTSDBACE1
SCHEMBL4255806 0.92 CTSD (0.49) CTSDBACE1
SCHEMBL309571 0.91 CTSD (0.48) CTSDBACE1
SCHEMBL4256055 0.89 CTSD (0.59) CTSDBACE1
SCHEMBL3226818 0.89 CTSD (0.63) CTSDBACE1
SCHEMBL310220 0.88 CTSD (0.46) CTSDBACE1
SCHEMBL308670 0.88 BACE1 (0.57) CTSDBACE1
SCHEMBL309701 0.86 CTSD (0.61) CTSDBACE1
SCHEMBL4257146 0.86 CTSD (0.46) CTSDBACE1

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
EP-2303857-A1 CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS Novartis AG (CH) 2011-04-06 EP disclosed