SCHEMBL5219954

SCHEMBL5219954

CC(C)CCCC(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NC(C)C)cc(N2CCCCS2(O)O)c1F

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.58
CTSD P07339 16/20 0.58
BACE2 Q9Y5Z0 15/20 0.58
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.42

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
SCHEMBL5219966 1.00 BACE1 (0.58) BACE1CTSDBACE2CYP3A4CYP2D6
SCHEMBL5221507 0.93 BACE1 (0.68) BACE1CTSDBACE2CYP3A4CYP2D6
SCHEMBL5221515 0.93 BACE1 (0.68) BACE1CTSDBACE2CYP3A4CYP2D6
SCHEMBL5219958 0.93 BACE1 (0.64) BACE1CTSDBACE2CYP3A4CYP2D6
SCHEMBL5217222 0.88 CTSD (0.57) BACE1CTSDBACE2CYP3A4CYP2D6
SCHEMBL5217232 0.88 CTSD (0.57) BACE1CTSDBACE2CYP3A4CYP2D6
SCHEMBL5221502 0.87 BACE1 (0.74) BACE1CTSDBACE2CYP3A4CYP2D6
SCHEMBL5221251 0.86 CTSD (0.75) BACE1CTSDBACE2
SCHEMBL5221249 0.86 CTSD (0.75) BACE1CTSDBACE2
SCHEMBL5217444 0.84 CTSD (0.60) 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 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 3/4885CTSD 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.