SCHEMBL5216487

SCHEMBL5216487

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HPGD P15428 3/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MCHR1 Q99705 1/20 0.32
KMO O15229 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL5223389 0.96 ALDH1A1 (0.38) ALDH1A1ATMSMN1; SMN2NPSR1HSD17B10
SCHEMBL5218376 0.89 GAA (0.38) ALDH1A1ATMSMN1; SMN2NPSR1HSD17B10
SCHEMBL5216490 0.88 TP53 (0.44) ALDH1A1ATMSMN1; SMN2NPSR1TP53
SCHEMBL5221126 0.86 GAA (0.37) ALDH1A1ATMSMN1; SMN2NPSR1CHRM2
SCHEMBL1583549 0.86 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NPSR1HSD17B10HPGD
SCHEMBL5224062 0.85 KMO (0.43) ALDH1A1SMN1; SMN2HSD17B10HPGDKDM4E
SCHEMBL5223381 0.85 POLB (0.45) ALDH1A1ATMSMN1; SMN2NPSR1TP53
SCHEMBL5216923 0.83 ALDH1A1 (0.33) ALDH1A1ATMSMN1; SMN2NPSR1HSD17B10
SCHEMBL5222301 0.81 POLB (0.43) ALDH1A1SMN1; SMN2HSD17B10HPGDKDM4E
SCHEMBL5221494 0.80 ALDH1A1 (0.33) ALDH1A1ATMSMN1; SMN2NPSR1HSD17B10

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 ALDH1A1 3102/4885ATM 870/4885SMN1; 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.