SCHEMBL4941398

SCHEMBL4941398

CN(c1cc(C(=O)NCC(O)[C@@](C)(Cc2ccccc2)NC(=O)O)cc(Cl)n1)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 18/20 0.38
CNR2 P34972 1/20 0.35

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
SCHEMBL2022744 0.85 BACE1 (0.41) BACE1
SCHEMBL2022746 0.85 BACE1 (0.41) BACE1
SCHEMBL4944393 0.82 BCHE (0.38) BCHEACHEBACE1
SCHEMBL5650603 0.82 BACE1 (0.47) BACE1
SCHEMBL5649530 0.82 BACE1 (0.47) BACE1
SCHEMBL2021294 0.79 BACE1 (0.41) BACE1
SCHEMBL2021293 0.78 BCHE (0.37) BCHEACHEBACE1
SCHEMBL20225448 0.72 CAMK2D (0.41) BACE1
SCHEMBL838354 0.70 KDM4E (0.40) BACE1
SCHEMBL4947307 0.70 BACE1 (0.44) BACE1

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-1740581-B1 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-08-22 EP disclosed
US-20080015233-A1 2,4,6-Substituted Pyridyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2008-01-17 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-20080015233-A1 2,4,6-Substituted Pyridyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, PSEN2 BCHE 12/4885ACHE 11/4885BACE1 1/4885

“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.