SCHEMBL5220188

SCHEMBL5220188

CCOC(=O)c1cc(N2CCCS2(=O)=O)c2c(c1)c(CC)cn2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
ALOX15 P16050 2/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.36
MEN1 O00255 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
HCRTR1 O43613 2/20 0.35
GALR1 P47211 1/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 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

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
SCHEMBL5220196 0.90 ALDH1A1 (0.35) KDM4EALDH1A1HSD17B10ALOX15POLB
SCHEMBL5220047 0.87 POLB (0.39) POLBTP53CTSDBACE1BACE2
SCHEMBL5217435 0.79 ALDH1A1 (0.39) KDM4EALDH1A1HSD17B10ALOX15POLB
SCHEMBL5220175 0.79 CTSD (0.48) KDM4EALDH1A1HSD17B10ALOX15POLB
SCHEMBL5225325 0.76 ALDH1A1 (0.39) KDM4EALDH1A1HSD17B10ALOX15POLB
SCHEMBL5220055 0.76 BACE1 (0.36) CTSDBACE1BACE2
SCHEMBL4833669 0.69 TP53 (0.64) ALDH1A1POLBTP53GALR1MAPT
SCHEMBL5217430 0.69 ALDH1A1 (0.35) KDM4EALDH1A1HSD17B10ALOX15POLB
SCHEMBL5740838 0.68 CTSD (0.48) KDM4EALDH1A1HSD17B10ALOX15POLB
SCHEMBL6186786 0.68 MAPT (0.43) POLBTP53MAPTSMN1; SMN2CA12

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 KDM4E 1129/4885ALDH1A1 3102/4885HSD17B10 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.