SCHEMBL5220120

SCHEMBL5220120

COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(OC(C)C)cc(N3CCCS3(O)O)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.67
CTSD P07339 13/20 0.67
BACE2 Q9Y5Z0 8/20 0.67

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
SCHEMBL5255855 1.00 BACE1 (0.67) BACE1CTSDBACE2
Hydrochloric Acid SCHEMBL5220762 0.99 BACE1 (0.66) BACE1CTSDBACE2
SCHEMBL5222694 0.98 BACE1 (0.70) BACE1CTSDBACE2
SCHEMBL5224834 0.98 BACE1 (0.70) BACE1CTSDBACE2
Hydrochloric Acid SCHEMBL5221746 0.97 BACE1 (0.69) BACE1CTSDBACE2
Hydrochloric Acid SCHEMBL5221740 0.97 BACE1 (0.69) BACE1CTSDBACE2
SCHEMBL5220126 0.94 BACE1 (0.77) BACE1CTSDBACE2
Hydrochloric Acid SCHEMBL5220757 0.93 BACE1 (0.76) BACE1CTSDBACE2
SCHEMBL5218994 0.93 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL5218981 0.93 BACE1 (0.63) BACE1CTSDBACE2

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
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US claimed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP claimed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 BACE1 3/4885CTSD 384/4885BACE2 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.