SCHEMBL5221494

SCHEMBL5221494

COC(=O)c1cc(C2C=CCC2)cc(N2CCCCS2(O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ATM Q13315 1/20 0.33
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
ESR2 Q92731 1/20 0.32
GAA P10253 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 1/20 0.30
POLB P06746 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL5216923 0.97 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2NPSR1ATMALOX15
SCHEMBL5219523 0.90 POLB (0.41) ALDH1A1SMN1; SMN2NPSR1ATMPOLB
SCHEMBL5216928 0.86 TP53 (0.41) ALDH1A1SMN1; SMN2NPSR1ATMHSD17B10
SCHEMBL5223389 0.84 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2NPSR1ATMGAA
SCHEMBL5221126 0.83 GAA (0.37) ALDH1A1SMN1; SMN2NPSR1ATMGAA
SCHEMBL5216487 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2NPSR1ATMGAA
SCHEMBL5218376 0.79 GAA (0.38) ALDH1A1SMN1; SMN2NPSR1ATMGAA
SCHEMBL5218756 0.79 ALOX15 (0.31) ALOX15RECQLESR2
SCHEMBL1583549 0.78 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NPSR1GAAKDM4E
SCHEMBL5220451 0.78 MEN1 (0.42) ALDH1A1SMN1; SMN2ATMGAANPC1

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 3102/4885SMN1; SMN2 478/4885NPSR1 840/4885

“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.