SCHEMBL5219973

SCHEMBL5219973

COC(=O)c1cc(NC(C)C)cc(N2CCCCS2(=O)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
BACE1 P56817 7/20 0.46
BACE2 Q9Y5Z0 6/20 0.46
CTSD P07339 5/20 0.46
TP53 P04637 7/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL5219981 0.88 BACE1 (0.40) POLBBACE1BACE2CTSDTP53
SCHEMBL5217940 0.88 POLB (0.57) POLBBACE1BACE2CTSDTP53
SCHEMBL475737 0.87 POLB (0.55) POLBTP53SMN1; SMN2MAPT
SCHEMBL1583553 0.83 TP53 (0.52) POLBTP53SMN1; SMN2MAPT
SCHEMBL5223342 0.83 POLB (0.50) POLBTP53SMN1; SMN2MAPT
SCHEMBL13229564 0.83 POLB (0.60) POLBBACE1BACE2TP53SMN1; SMN2
SCHEMBL3898302 0.83 POLB (0.50) POLBBACE1TP53SMN1; SMN2MAPT
SCHEMBL5219854 0.82 TP53 (0.48) POLBBACE1TP53SMN1; SMN2MAPT
SCHEMBL5218542 0.81 POLB (0.49) POLBTP53SMN1; SMN2MAPT
SCHEMBL3889341 0.81 POLB (0.49) POLBTP53SMN1; SMN2MAPT

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 POLB 723/4885BACE1 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.