SCHEMBL5219941

SCHEMBL5219941

CCN(CC)c1cc(C(=O)OC)cc(N2CCCCS2(=O)=O)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 4/20 0.35
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
LDHA P00338 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL5219935 0.89 ALDH1A1 (0.34) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL5224403 0.88 POLB (0.45) POLBPIK3C3TP53CTSDBACE1
SCHEMBL5218030 0.82 BACE1 (0.47) POLBALDH1A1PIK3C3KDM4ESMN1; SMN2
SCHEMBL5219776 0.81 KDM4E (0.50) POLBALDH1A1PIK3C3KDM4ESMN1; SMN2
SCHEMBL5222480 0.79 CTSD (0.44) ALDH1A1PIK3C3KDM4ESMN1; SMN2NPC1
SCHEMBL5219375 0.77 KDM4E (0.48) ALDH1A1PIK3C3KDM4ESMN1; SMN2NPC1
SCHEMBL5220082 0.77 MEN1 (0.43) POLBALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL5224401 0.76 POLB (0.35) POLBTP53
SCHEMBL5222432 0.75 TP53 (0.38) POLBALDH1A1PIK3C3KDM4ESMN1; SMN2
SCHEMBL5218051 0.74 BACE1 (0.51) POLBALDH1A1KDM4ESMN1; SMN2NPC1

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 POLB 723/4885ALDH1A1 3102/4885PIK3C3 4821/4885

“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.