SCHEMBL5221112

SCHEMBL5221112

COC(=O)c1cc(C2CC=CC2)cc(N2CCCCS2(=O)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
TP53 P04637 8/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PIK3C3 Q8NEB9 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
SCHEMBL5218382 0.97 TP53 (0.43) POLBTP53GAASMN1; SMN2MAPT
SCHEMBL5223381 0.90 POLB (0.45) POLBTP53SMN1; SMN2MAPTALDH1A1
SCHEMBL5221126 0.89 GAA (0.37) POLBGAASMN1; SMN2MAPTALDH1A1
SCHEMBL5216490 0.86 TP53 (0.44) POLBTP53SMN1; SMN2MAPTALDH1A1
SCHEMBL475737 0.85 POLB (0.55) POLBTP53SMN1; SMN2MAPTALDH1A1
SCHEMBL5218376 0.85 GAA (0.38) POLBTP53GAASMN1; SMN2ALDH1A1
SCHEMBL5219523 0.83 POLB (0.41) POLBTP53SMN1; SMN2MAPTALDH1A1
SCHEMBL1583553 0.81 TP53 (0.52) POLBTP53SMN1; SMN2MAPTALDH1A1
SCHEMBL3898302 0.81 POLB (0.50) POLBTP53SMN1; SMN2MAPTALDH1A1
SCHEMBL13229564 0.81 POLB (0.60) POLBTP53SMN1; SMN2MAPTALDH1A1

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 723/4885TP53 3868/4885GAA 80/4885

“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.