SCHEMBL5221362

SCHEMBL5221362

COC(=O)c1cc2c(c(N3CCCCS3(=O)=O)c1)CCN2C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.41
UCHL1 P09936 1/20 0.39
USP30 Q70CQ3 1/20 0.39
POLB P06746 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.35
HSD17B3 P37058 1/20 0.35
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
STAT3 P40763 1/20 0.34
STAT1 P42224 1/20 0.34
KLF5 Q13887 1/20 0.34

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
SCHEMBL6184274 0.91 POLB (0.39) UCHL1USP30POLBKDM4ENPC1
SCHEMBL5221373 0.89 NOTUM (0.41) NOTUMUCHL1USP30POLBKDM4E
SCHEMBL5222762 0.86 UCHL1 (0.51) UCHL1USP30POLBKDM4ENPC1
SCHEMBL5222432 0.83 TP53 (0.38) UCHL1USP30POLBKDM4ENPC1
SCHEMBL6184270 0.80 UCHL1 (0.39) NOTUMUCHL1USP30KDM4ENPC1
Hydrochloric Acid SCHEMBL5220367 0.78 PIK3C3 (0.36) POLBKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5222755 0.75 UCHL1 (0.51) NOTUMUCHL1USP30KDM4ENPC1
SCHEMBL5219776 0.75 KDM4E (0.50) POLBKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL475737 0.75 POLB (0.55) POLBKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5221138 0.74 KDM4E (0.49) POLBKDM4ENPC1RAB9ASMN1; SMN2

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 NOTUM 1414/4885UCHL1 143/4885USP30 1875/4885

“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.