SCHEMBL4947313

SCHEMBL4947313

CC(c1ccccc1)[C@@H](NC(=O)O)c1cnc(-c2cc(Cl)nc(N(C)S(C)(=O)=O)c2)o1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.37
BACE2 Q9Y5Z0 5/20 0.35
MAPK1 P28482 1/20 0.35
PIK3C3 Q8NEB9 2/20 0.33
POLB P06746 2/20 0.32
PRCP P42785 2/20 0.32
PHGDH O43175 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4942415 0.86 BACE1 (0.37) BACE1BACE2MAPK1POLBPHGDH
SCHEMBL2027660 0.82 BACE1 (0.36) BACE1BACE2MAPK1
SCHEMBL2025875 0.78 BACE1 (0.39) BACE1BACE2MAPK1
SCHEMBL4945797 0.74 BACE1 (0.44) BACE1BACE2
SCHEMBL4947307 0.74 BACE1 (0.44) BACE1BACE2
SCHEMBL2023991 0.72 BACE1 (0.41) BACE1BACE2MAPK1
SCHEMBL2023118 0.72 BACE1 (0.37) BACE1BACE2
SCHEMBL12578541 0.69 BACE1 (0.42) BACE1BACE2MEN1KMT2A
SCHEMBL4946010 0.68 BACE1 (0.42) BACE1BACE2
SCHEMBL2027494 0.66 BACE1 (0.47) 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 BACE1 1/4885BACE2 2/4885MAPK1 3699/4885

“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.