SCHEMBL5219248

SCHEMBL5219248

COC(=O)c1cc(N2CCCCS2(O)O)c2nc[nH]c2c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.35
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CREBBP Q92793 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
ACACB O00763 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5219255 0.90 PIK3C3 (0.38) HSD11B1KMT2ATDP1KDM4ENPC1
SCHEMBL5220218 0.79 CREBBP (0.43) KMT2AKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5220205 0.78 CTSD (0.35) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5219791 0.74 CTSD (0.36) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL6188856 0.74 KDM4E (0.38) HSD11B1KMT2ATDP1KDM4ENPC1
SCHEMBL5219772 0.74 KDM4E (0.47) KMT2AKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5221373 0.73 NOTUM (0.41) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5221149 0.73 KDM4E (0.46) KMT2AKDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL5220379 0.72 ALOX15 (0.33) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL6184270 0.71 UCHL1 (0.39) KDM4ENPC1RAB9ASMN1; SMN2NPSR1

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 HSD11B1 1928/4885KMT2A 300/4885TDP1 382/4885

“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.