SCHEMBL5053683

SCHEMBL5053683

CC(C)CC(NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(O)CC(C)C(=O)NC(C(=O)NCc1ccncc1)C(C)C

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.78
CTSD P07339 14/20 0.78
BACE2 Q9Y5Z0 4/20 0.78
REN P00797 1/20 0.67

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
SCHEMBL5053614 0.93 BACE1 (0.75) BACE1CTSDBACE2REN
SCHEMBL5051631 0.90 BACE1 (0.77) BACE1CTSDBACE2REN
SCHEMBL5051572 0.89 BACE1 (0.75) BACE1CTSDBACE2REN
SCHEMBL5053630 0.88 BACE1 (1.00) BACE1CTSDBACE2REN
SCHEMBL15299648 0.88 BACE1 (1.00) BACE1CTSDBACE2REN
SCHEMBL5049138 0.86 BACE1 (0.84) BACE1CTSDBACE2
SCHEMBL5055424 0.85 BACE1 (1.00) BACE1CTSDBACE2REN
SCHEMBL5055414 0.84 BACE1 (0.91) BACE1CTSDBACE2
SCHEMBL5050370 0.84 BACE1 (0.76) BACE1CTSDBACE2REN
SCHEMBL8153227 0.83 BACE1 (1.00) BACE1CTSD

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-20080207527-A1 Bicyclic Compounds Which Inhibit Beta-Secretase Activity and Methods of Use Thereof COMENTIS, INC. (US) 2008-08-28 US claimed

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-20080207527-A1 Bicyclic Compounds Which Inhibit Beta-Secretase Activity and Methods of Use Thereof BACE1, BACE2, PSEN1 BACE1 1/4885CTSD 45/4885BACE2 2/4885

“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.