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Sugi Predict / Compounds / SCHEMBL1908510

SCHEMBL1908510

SCHEMBL1908510

CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(C[C@H](O)C(F)(F)F)c3)[C@@H]2O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 20/20 1.00
▸ BACE1 P56817 20/20 1.00
▸ CYP3A4 P08684 1/20 0.74

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
SCHEMBL1908513 0.90 CTSD (1.00) CTSDBACE1CYP3A4
SCHEMBL10210296 0.88 CTSD (0.79) CTSDBACE1CYP3A4
SCHEMBL1908536 0.87 CTSD (0.88) CTSDBACE1CYP3A4
SCHEMBL311006 0.84 CTSD (0.88) CTSDBACE1CYP3A4
SCHEMBL309928 0.83 CTSD (0.87) CTSDBACE1CYP3A4
SCHEMBL310267 0.82 CTSD (1.00) CTSDBACE1CYP3A4
SCHEMBL310003 0.80 CTSD (1.00) CTSDBACE1CYP3A4
SCHEMBL1908527 0.80 CTSD (0.75) CTSDBACE1CYP3A4
SCHEMBL309937 0.80 CTSD (1.00) CTSDBACE1CYP3A4
SCHEMBL1908535 0.79 CTSD (0.73) CTSDBACE1CYP3A4

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 1 patent. 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