SCHEMBL3589986

SCHEMBL3589986

CN(c1cc(Br)cc(-c2nnc([C@@](C)(Cc3ccccc3)N(C(=O)O)C(C)(C)C)o2)c1)S(C)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.57
BACE2 Q9Y5Z0 1/20 0.50
LMNA P02545 3/20 0.36
TSHR P16473 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3598213 0.90 BACE1 (0.57) BACE1BACE2LMNATSHRNPSR1
SCHEMBL3599297 0.90 BACE1 (0.57) BACE1BACE2LMNATSHRNPSR1
SCHEMBL3591432 0.85 BACE1 (0.59) BACE1BACE2LMNATSHRNPSR1
SCHEMBL3594089 0.85 BACE1 (0.59) BACE1BACE2LMNATSHRNPSR1
SCHEMBL2023115 0.82 BACE1 (0.49) BACE1BACE2LMNATSHRNPSR1
SCHEMBL2023116 0.82 BACE1 (0.49) BACE1BACE2LMNATSHRNPSR1
SCHEMBL3599295 0.81 BACE1 (0.54) BACE1BACE2LMNATSHRNPSR1
SCHEMBL3599293 0.81 BACE1 (0.54) BACE1BACE2LMNATSHRNPSR1
SCHEMBL3599301 0.81 BACE1 (0.54) BACE1BACE2LMNATSHRNPSR1
SCHEMBL3598729 0.79 BACE1 (0.40) BACE1BACE2LMNATSHRNPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740559-B1 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-10-15 EP disclosed
US-7847100-B2 1,3,5-substituted phenyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's disease Merck, Sharp & Dohme, Inc. (US) 2010-12-07 US disclosed
US-20070244119-A1 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2007-10-18 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-20070244119-A1 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, PSEN1 BACE1 1/4885BACE2 2/4885LMNA 1048/4885

“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.