SCHEMBL5221570

SCHEMBL5221570

CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)C

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.70
CTSK P43235 6/20 0.70
BACE1 P56817 7/20 0.58
CA2 P00918 1/20 0.54
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
TSHR P16473 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
CAPN1 P07384 1/20 0.44
REN P00797 1/20 0.43
BACE2 Q9Y5Z0 1/20 0.43

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
SCHEMBL13334318 0.86 CTSS (0.53) CTSSCTSKBACE1CA2CTSL
SCHEMBL28969865 0.84 CTSS (0.70) CTSSCTSKBACE1CA2CTSL
SCHEMBL10606688 0.84 CTSS (0.74) CTSSCTSKBACE1CA2CTSL
SCHEMBL3721596 0.84 CTSS (0.70) CTSSCTSKBACE1CA2CTSL
SCHEMBL10606387 0.84 CTSS (0.70) CTSSCTSKBACE1CA2CTSL
SCHEMBL9611898 0.84 CTSS (0.74) CTSSCTSKBACE1CA2CTSL
SCHEMBL7436235 0.84 CTSS (0.70) CTSSCTSKBACE1CA2CTSL
SCHEMBL3757938 0.83 CTSS (0.69) CTSSCTSKBACE1CA2CTSL
SCHEMBL21887355 0.83 CTSK (0.69) CTSSCTSKBACE1CA2TSHR
SCHEMBL1918995 0.83 CTSS (0.69) CTSSCTSKBACE1CA2CTSL

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 CTSS 313/4885CTSK 526/4885BACE1 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.