SCHEMBL5219142

SCHEMBL5219142

CCn1ccc2c(N3CCCS3(O)O)cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)CNC3CCCCC3)cc21

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.58
BACE2 Q9Y5Z0 19/20 0.58
CTSD P07339 17/20 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
SCHEMBL5219135 1.00 BACE1 (0.58) BACE1BACE2CTSD
SCHEMBL5216480 0.98 BACE1 (0.57) BACE1BACE2CTSD
SCHEMBL5216494 0.98 BACE1 (0.57) BACE1BACE2CTSD
SCHEMBL5219138 0.94 BACE1 (0.61) BACE1BACE2CTSD
SCHEMBL5216473 0.92 BACE1 (0.64) BACE1BACE2CTSD
SCHEMBL5218440 0.87 BACE1 (0.58) BACE1BACE2CTSD
SCHEMBL5218454 0.87 BACE1 (0.58) BACE1BACE2CTSD
SCHEMBL5219888 0.86 BACE1 (0.71) BACE1BACE2CTSD
SCHEMBL5219879 0.86 BACE1 (0.71) BACE1BACE2CTSD
SCHEMBL5219480 0.83 CTSD (0.76) BACE1BACE2CTSD

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 4 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
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 BACE1 3/4885BACE2 1/4885CTSD 384/4885

“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.