SCHEMBL13073617

SCHEMBL13073617

Cc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(O)c2)cc(C(=O)N2CCC[C@@H]2c2nc(C)co2)c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 19/20 0.46
▸ BACE2 Q9Y5Z0 12/20 0.46
▸ CTSD P07339 12/20 0.45

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
SCHEMBL13073618 0.95 BACE1 (0.46) BACE1BACE2CTSD
SCHEMBL3509356 0.92 BACE1 (0.45) BACE1BACE2CTSD
SCHEMBL3509355 0.92 BACE1 (0.45) BACE1BACE2CTSD
SCHEMBL3509352 0.92 BACE1 (0.45) BACE1BACE2CTSD
SCHEMBL3511286 0.91 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL3511284 0.91 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL3511280 0.91 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL3512518 0.90 BACE1 (0.49) BACE1BACE2CTSD
SCHEMBL3512515 0.90 BACE1 (0.49) BACE1BACE2CTSD
SCHEMBL3512517 0.90 BACE1 (0.49) BACE1BACE2CTSD

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-8299267-B2 (3-hydroxy-4-amino-butan-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for treating COMENTIS, INC. (US) 2012-10-30 — — US disclosed
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC 2010-11-11 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING BACE1, BACE2, PSEN1 BACE1 1/4885BACE2 2/4885CTSD 24/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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