SCHEMBL5218370

SCHEMBL5218370

CCn1ncc2c(N3CCCS3(O)O)cc(C(=O)OC)cc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 9/20 0.37
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE4B Q07343 3/20 0.34
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
MAPT P10636 1/20 0.32
P2RX3 P56373 1/20 0.30
P2RX2 Q9UBL9 1/20 0.30

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
SCHEMBL5218380 0.90 PIK3C3 (0.39) PTGER3CTSDBACE1BACE2KDM4E
SCHEMBL5222586 0.88 CTSD (0.37) PTGER3CTSDBACE1BACE2KDM4E
SCHEMBL5220034 0.80 BACE1 (0.37) CTSDBACE1BACE2KDM4ENPSR1
SCHEMBL5221894 0.79 BACE1 (0.49) PTGER3CTSDBACE1BACE2KDM4E
SCHEMBL5222594 0.78 POLB (0.39) PTGER3CTSDBACE1BACE2MAPT
SCHEMBL5219791 0.77 CTSD (0.36) CTSDBACE1BACE2KDM4ENPSR1
SCHEMBL5222272 0.77 BACE1 (0.37) CTSDBACE1BACE2KDM4EMEN1
SCHEMBL5220205 0.74 CTSD (0.35) CTSDBACE1BACE2KDM4ENPSR1
SCHEMBL5221391 0.74 BACE1 (0.56) CTSDBACE1BACE2
SCHEMBL5221959 0.74 KDM4E (0.41) PTGER3KDM4EMEN1GAATSHR

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 PTGER3 2336/4885CTSD 384/4885BACE1 3/4885

“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.