SCHEMBL5223381

SCHEMBL5223381

COC(=O)c1cc(C2CCCC2)cc(N2CCCCS2(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
TP53 P04637 8/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.37
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37

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
SCHEMBL5216490 0.96 TP53 (0.44) POLBTP53SMN1; SMN2ALDH1A1ATM
SCHEMBL5221112 0.90 POLB (0.44) POLBTP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL5223389 0.88 ALDH1A1 (0.38) POLBSMN1; SMN2ALDH1A1ATMNPSR1
SCHEMBL475737 0.86 POLB (0.55) POLBTP53SMN1; SMN2ALDH1A1NPSR1
SCHEMBL5218382 0.86 TP53 (0.43) POLBTP53SMN1; SMN2ALDH1A1ATM
SCHEMBL5222292 0.85 POLB (0.59) POLBTP53BACE1BACE2
SCHEMBL5216487 0.85 ALDH1A1 (0.39) TP53SMN1; SMN2ALDH1A1ATMNPSR1
SCHEMBL5219523 0.84 POLB (0.41) POLBTP53SMN1; SMN2ALDH1A1ATM
SCHEMBL1583553 0.82 TP53 (0.52) POLBTP53SMN1; SMN2ALDH1A1NPSR1
SCHEMBL13229564 0.82 POLB (0.60) POLBTP53SMN1; SMN2ALDH1A1MAPT

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 3868/4885SMN1; SMN2 478/4885

“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.