SCHEMBL5219255

SCHEMBL5219255

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 3/20 0.38
HSD11B1 P28845 3/20 0.38
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LDHA P00338 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
SCHEMBL5219248 0.90 HSD11B1 (0.35) HSD11B1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6188856 0.83 KDM4E (0.38) PIK3C3HSD11B1POLBKDM4ENPC1
SCHEMBL5220194 0.79 POLB (0.37) PIK3C3POLBKDM4ENPC1RAB9A
SCHEMBL5220225 0.79 CREBBP (0.43) PIK3C3POLBKDM4ENPC1RAB9A
SCHEMBL5219796 0.75 PIK3C3 (0.39) PIK3C3POLBKDM4ENPC1RAB9A
SCHEMBL5219776 0.74 KDM4E (0.50) PIK3C3POLBKDM4ENPC1RAB9A
SCHEMBL5221362 0.74 NOTUM (0.41) PIK3C3POLBKDM4ENPC1RAB9A
SCHEMBL475737 0.74 POLB (0.55) PIK3C3POLBKDM4ENPC1RAB9A
SCHEMBL5221138 0.74 KDM4E (0.49) PIK3C3POLBKDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL5220367 0.72 PIK3C3 (0.36) PIK3C3POLBKDM4ENPC1RAB9A

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 PIK3C3 4821/4885HSD11B1 1928/4885POLB 723/4885

“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.