Sugi Predict

Sugi Predict / Compounds / SCHEMBL2371089

SCHEMBL2371089

SCHEMBL2371089

Cc1ccc(-c2cnc3c(c2)C2(CSC(NC(=O)O)=N2)c2cc(C#CC4(C)COC4)ccc2O3)cn1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 19/20 0.47
▸ BACE2 Q9Y5Z0 3/20 0.47
▸ CTSD P07339 2/20 0.47
▸ KCNH2 Q12809 6/20 0.35
▸ PTGER4 P35408 1/20 0.33

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
SCHEMBL2519147 0.92 BACE1 (0.43) BACE1BACE2CTSDKCNH2PTGER4
SCHEMBL2519146 0.92 BACE1 (0.43) BACE1BACE2CTSDKCNH2PTGER4
SCHEMBL2370597 0.88 BACE1 (0.53) BACE1BACE2CTSDKCNH2
SCHEMBL2371539 0.88 BACE1 (0.43) BACE1BACE2CTSDKCNH2
SCHEMBL2370592 0.88 BACE1 (0.53) BACE1BACE2CTSDKCNH2
SCHEMBL2522217 0.79 BACE1 (0.39) BACE1BACE2CTSDKCNH2
SCHEMBL2371426 0.77 BACE1 (0.63) BACE1BACE2CTSDKCNH2
SCHEMBL12235325 0.72 BACE1 (0.42) BACE1BACE2CTSDKCNH2
SCHEMBL2371507 0.69 BACE1 (0.42) BACE1CTSD
SCHEMBL2520085 0.69 BACE1 (0.61) BACE1BACE2CTSDKCNH2

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-2547685-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS Amgen Inc. (US) 2013-01-23 — — EP disclosed
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 — — WO disclosed