Sugi Predict

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SCHEMBL5200554

SCHEMBL5200554

CCC(Cc1nc(C)cs1)C(=O)NC(CNC(=O)OC(C)C)C(=O)NC(CC(C)C)C(O)CC(C)C(=O)NC(C(=O)NCC(C)C)C(C)C.Cc1csc(CC(C)C(=O)NC(CNC(=O)OC(C)(C)C)C(=O)NC(CC(C)C)C(O)CC(C)C(=O)NC(CS(=O)(=O)CC(C)C)C(C)C)n1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.81
▸ CTSD P07339 1/20 0.75
▸ BACE2 Q9Y5Z0 1/20 0.75

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
SCHEMBL4910208 0.90 BACE1 (1.00) BACE1CTSDBACE2
SCHEMBL13496346 0.90 BACE1 (1.00) BACE1CTSDBACE2
SCHEMBL4909861 0.89 BACE1 (0.78) BACE1CTSDBACE2
SCHEMBL4908400 0.89 BACE1 (0.84) BACE1CTSDBACE2
SCHEMBL13496316 0.87 BACE1 (0.90) BACE1CTSDBACE2
SCHEMBL4906674 0.87 BACE1 (0.90) BACE1CTSDBACE2
SCHEMBL4912433 0.87 BACE1 (1.00) BACE1CTSDBACE2
SCHEMBL3373131 0.81 BACE1 (0.83) BACE1CTSDBACE2
SCHEMBL3373143 0.81 BACE1 (0.83) BACE1CTSDBACE2
SCHEMBL14271316 0.81 BACE1 (0.75) BACE1CTSDBACE2

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-1799660-A2 AMINO-CONTAINING COMPOUNDS WHICH INHIBIT MEMAPSIN 2 BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2007-06-27 — — EP disclosed
WO-2006034296-A2 AMINO-CONTAINING COMPOUNDS WHICH INHIBIT MEMAPSIN 2 BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2006-03-30 — — WO disclosed