SCHEMBL5217430

SCHEMBL5217430

CCOC(=O)c1cc(N2CCCS2(O)O)c2[nH]cc(CC)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 5/20 0.35
HSD17B10 Q99714 4/20 0.35
MAPK1 P28482 3/20 0.35
ALOX15 P16050 2/20 0.35
POLB P06746 2/20 0.35
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL5225333 0.97 ALDH1A1 (0.35) ALDH1A1KDM4EHSD17B10MAPK1ALOX15
SCHEMBL5217435 0.90 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10MAPK1ALOX15
SCHEMBL5225325 0.87 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10MAPK1ALOX15
SCHEMBL5220196 0.79 ALDH1A1 (0.35) ALDH1A1KDM4EHSD17B10MAPK1ALOX15
SCHEMBL5222278 0.79 CTSD (0.48) ALDH1A1KDM4EHSD17B10MAPK1ALOX15
SCHEMBL5221500 0.78 CTSD (0.46) ALDH1A1KDM4EHSD17B10MAPK1ALOX15
SCHEMBL5226007 0.76 POLB (0.39) POLBCTSDBACE1BACE2TP53
SCHEMBL5379600 0.75 TSHR (0.40) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL5223919 0.73 POLB (0.44) POLBCTSDBACE1BACE2TP53
SCHEMBL5217343 0.72 CA12 (0.44) ALDH1A1KDM4EHSD17B10MAPK1ALOX15

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 3102/4885KDM4E 1129/4885HSD17B10 1753/4885

“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.