SCHEMBL5218548

SCHEMBL5218548

COC(=O)c1cc(N)cc(N2CCCCS2(O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.40
RAB9A P51151 5/20 0.40
KDM4E B2RXH2 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.36
ATAD2 Q6PL18 1/20 0.36
POLB P06746 2/20 0.35
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
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
NFKB1 P19838 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
SCHEMBL5225018 0.96 KDM4E (0.39) NPC1RAB9AKDM4ESMN1; SMN2NPSR1
SCHEMBL5218542 0.87 POLB (0.49) NPC1RAB9AKDM4ESMN1; SMN2NPSR1
SCHEMBL1583549 0.86 ALDH1A1 (0.42) NPC1RAB9AKDM4ESMN1; SMN2NPSR1
SCHEMBL5223333 0.86 CA12 (0.49) NPC1RAB9AKDM4ESMN1; SMN2NPSR1
SCHEMBL5219947 0.85 NOTUM (0.45) NPC1RAB9AKDM4ESMN1; SMN2NPSR1
SCHEMBL5225022 0.83 TP53 (0.47) NPC1RAB9AKDM4ESMN1; SMN2NPSR1
SCHEMBL6827148 0.83 MEN1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5219981 0.81 BACE1 (0.40) NPC1RAB9AKDM4ESMN1; SMN2NPSR1
SCHEMBL5219867 0.81 HTT (0.43) NPC1RAB9AKDM4ESMN1; SMN2NPSR1
SCHEMBL5222444 0.81 MEN1 (0.44) NPC1SMN1; SMN2MAPTPOLBL3MBTL1

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 NPC1 1554/4885RAB9A 2403/4885KDM4E 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.