SCHEMBL5049128

SCHEMBL5049128

CCS(=O)(=O)Nc1cc(C(=O)NC(C)c2ccccc2)cc(C(=O)NC(CC(C)C)C(O)CC(NC(=O)OCc2ccccc2)C(=O)NC(C(=O)NC(C)C)C(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.56
CTSD P07339 8/20 0.56
BACE2 Q9Y5Z0 4/20 0.56
REN P00797 6/20 0.49
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46

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
SCHEMBL5050491 0.89 BACE1 (0.61) BACE1CTSDBACE2REN
SCHEMBL5049129 0.87 BACE1 (0.76) BACE1CTSDBACE2REN
SCHEMBL5053628 0.86 BACE1 (0.74) BACE1CTSDBACE2REN
SCHEMBL5055412 0.81 BACE1 (0.65) BACE1CTSDBACE2
SCHEMBL5051578 0.80 BACE1 (0.50) BACE1CTSDBACE2
SCHEMBL5055423 0.79 BACE1 (0.74) BACE1CTSDBACE2
SCHEMBL5049157 0.78 BACE1 (0.75) BACE1CTSDBACE2
SCHEMBL5049137 0.78 BACE1 (0.60) BACE1CTSDBACE2
SCHEMBL5051570 0.77 BACE1 (0.54) BACE1CTSDBACE2REN
SCHEMBL5050493 0.76 BACE1 (0.83) BACE1CTSDBACE2REN

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.