SCHEMBL5217435

SCHEMBL5217435

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 4/20 0.39
KDM4E B2RXH2 4/20 0.39
ALOX15 P16050 2/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
HCRTR1 O43613 2/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GALR1 P47211 1/20 0.35
IMPDH2 P12268 1/20 0.35
ALOX5 P09917 1/20 0.34
GAA P10253 1/20 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
SCHEMBL5225325 0.97 ALDH1A1 (0.39) ALDH1A1HSD17B10KDM4EALOX15POLB
SCHEMBL5217430 0.90 ALDH1A1 (0.35) ALDH1A1HSD17B10KDM4EALOX15POLB
SCHEMBL5226007 0.87 POLB (0.39) POLBTP53MAPTGAA
SCHEMBL5225333 0.87 ALDH1A1 (0.35) ALDH1A1HSD17B10KDM4EALOX15POLB
SCHEMBL5223919 0.84 POLB (0.44) POLBTP53MAPTGAA
SCHEMBL5220188 0.79 KDM4E (0.39) ALDH1A1HSD17B10KDM4EALOX15POLB
SCHEMBL5222278 0.79 CTSD (0.48) ALDH1A1HSD17B10KDM4EALOX15POLB
SCHEMBL5221500 0.78 CTSD (0.46) ALDH1A1HSD17B10KDM4EALOX15POLB
SCHEMBL5226004 0.76 CTSD (0.36) POLB
SCHEMBL5223926 0.73 CTSD (0.36) POLB

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 3102/4885HSD17B10 1753/4885KDM4E 1129/4885

“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.