SCHEMBL3876038

SCHEMBL3876038

COc1cccc(CNC[C@H](O)C(CC(C)C)NC(=O)OCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.59
CTSD P07339 10/20 0.59
BCHE P06276 1/20 0.58

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
SCHEMBL3876042 1.00 BACE1 (0.59) BACE1CTSDBCHE
SCHEMBL10570700 0.89 CTSK (0.54)
SCHEMBL6697232 0.88 BACE1 (0.73) BACE1CTSDBCHE
Hydrochloric Acid SCHEMBL3352330 0.87 BACE1 (0.72) BACE1CTSDBCHE
SCHEMBL6110948 0.84 BCHE (0.68) BACE1CTSDBCHE
SCHEMBL3029758 0.83 CTSK (0.55)
SCHEMBL3348911 0.82 BCHE (0.65) BACE1CTSDBCHE
SCHEMBL3348906 0.82 BCHE (0.65) BACE1CTSDBCHE
SCHEMBL6703596 0.81 BACE1 (0.74) BACE1CTSDBCHE
SCHEMBL3351034 0.80 BCHE (0.68) BACE1CTSDBCHE

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-7557137-B2 Gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-15 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-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BACE1, APP, BACE2 BACE1 1/4885CTSD 251/4885BCHE 15/4885

“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.