SCHEMBL5216490

SCHEMBL5216490

COC(=O)c1cc(C2CCCC2)cc(N2CCCS2(=O)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.40
F10 P00742 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
AKR1C3 P42330 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
SCHEMBL5223381 0.96 POLB (0.45) TP53SMN1; SMN2ALDH1A1ATMNPSR1
SCHEMBL5218382 0.89 TP53 (0.43) TP53SMN1; SMN2ALDH1A1ATMNPSR1
SCHEMBL5216487 0.88 ALDH1A1 (0.39) TP53SMN1; SMN2ALDH1A1ATMNPSR1
SCHEMBL5221112 0.86 POLB (0.44) TP53SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL1583553 0.86 TP53 (0.52) TP53SMN1; SMN2ALDH1A1NPSR1POLB
SCHEMBL5224068 0.85 POLB (0.53) TP53POLBMAPTF10AKR1C3
SCHEMBL5223389 0.85 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1ATMNPSR1POLB
SCHEMBL5216928 0.83 TP53 (0.41) TP53SMN1; SMN2ALDH1A1ATMNPSR1
SCHEMBL475737 0.82 POLB (0.55) TP53SMN1; SMN2ALDH1A1NPSR1POLB
SCHEMBL5222292 0.81 POLB (0.59) TP53POLBF10AKR1C3

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 478/4885ALDH1A1 3102/4885

“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.