SCHEMBL5223975

SCHEMBL5223975

CCn1ncc2c(N3CCCS3(=O)=O)cc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CNC(C)(C)c3cccc(C(F)(F)F)c3)cc21

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSD P07339 18/20 0.65
BACE1 P56817 16/20 0.65
BACE2 Q9Y5Z0 14/20 0.65
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL5223981 0.94 CTSD (0.64) CTSDBACE1BACE2
SCHEMBL5224553 0.94 CTSD (0.64) CTSDBACE1BACE2
SCHEMBL5220783 0.91 CTSD (0.64) CTSDBACE1
SCHEMBL5218938 0.91 CTSD (0.76) CTSDBACE1BACE2CYP3A4CYP2D6
SCHEMBL5219799 0.89 CTSD (0.67) CTSDBACE1BACE2CYP3A4CYP2D6
SCHEMBL5220220 0.87 CTSD (0.70) CTSDBACE1BACE2CYP3A4CYP2D6
SCHEMBL5222800 0.87 BACE1 (0.83) CTSDBACE1BACE2CYP3A4CYP2D6
SCHEMBL5217481 0.87 CTSD (0.66) CTSDBACE1BACE2CYP3A4CYP2D6
SCHEMBL5222793 0.87 BACE1 (0.83) CTSDBACE1BACE2CYP3A4CYP2D6
SCHEMBL5220781 0.86 BACE1 (0.62) CTSDBACE1

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 CTSD 384/4885BACE1 3/4885BACE2 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.