SCHEMBL5221906

SCHEMBL5221906

COC(=O)c1cc(C2=CCCC2)cc(N2CCCS2(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.38
PIK3C3 Q8NEB9 2/20 0.38
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL5217003 0.97 POLB (0.43) TP53SMN1; SMN2POLBMAPTPIK3C3
SCHEMBL5221904 0.89 ACMSD (0.33) TP53SMN1; SMN2ALDH1A1
SCHEMBL5217014 0.86 HDAC1 (0.34) SMN1; SMN2POLBALDH1A1
SCHEMBL1583553 0.83 TP53 (0.52) TP53SMN1; SMN2POLBMAPTPIK3C3
SCHEMBL475737 0.79 POLB (0.55) TP53SMN1; SMN2POLBMAPTPIK3C3
SCHEMBL18767065 0.78 POLB (0.54) TP53SMN1; SMN2POLBMAPTPIK3C3
SCHEMBL5901042 0.78 TP53 (0.48) TP53SMN1; SMN2POLBMAPTALDH1A1
SCHEMBL5223898 0.78 MEN1 (0.44) SMN1; SMN2POLBMAPTALDH1A1
SCHEMBL5222204 0.77 TP53 (0.47) TP53SMN1; SMN2POLBMAPTPIK3C3
SCHEMBL5225022 0.77 TP53 (0.47) TP53SMN1; SMN2POLBMAPTPIK3C3

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 5 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 disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO 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 TP53 3868/4885SMN1; SMN2 478/4885POLB 723/4885

“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.