SCHEMBL5222278

SCHEMBL5222278

CCOC(=O)c1cc(N2CCCC2=O)c2[nH]cc(CC)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.48
BACE1 P56817 1/20 0.48
BACE2 Q9Y5Z0 1/20 0.48
HSD17B10 Q99714 5/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 3/20 0.40
ALOX5 P09917 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
CASP6 P55212 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALOX15 P16050 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL5221500 0.97 CTSD (0.46) CTSDBACE1BACE2HSD17B10PKM
SCHEMBL5221844 0.90 HSD17B10 (0.43) CTSDBACE1BACE2HSD17B10PKM
SCHEMBL5221504 0.89 CTSD (0.51) CTSDBACE1BACE2HSD17B10MEN1
SCHEMBL5222117 0.87 CTSD (0.42) CTSDBACE1BACE2HSD17B10PKM
SCHEMBL5221970 0.87 CTSD (0.49) CTSDBACE1BACE2HSD17B10MEN1
SCHEMBL5217435 0.79 ALDH1A1 (0.39) HSD17B10MAPTALOX5L3MBTL1KDM4E
SCHEMBL5217430 0.79 ALDH1A1 (0.35) CTSDBACE1BACE2HSD17B10MAPT
SCHEMBL5220175 0.78 CTSD (0.48) CTSDBACE1BACE2HSD17B10PKM
SCHEMBL5217128 0.78 CASP1 (0.40) CTSDBACE1BACE2MAPTL3MBTL1
SCHEMBL5225333 0.78 ALDH1A1 (0.35) CTSDBACE1BACE2HSD17B10ALOX5

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 3 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

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 CTSD 384/4885BACE1 3/4885BACE2 1/4885

“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.