SCHEMBL4430800

SCHEMBL4430800

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nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.55
CTSK P43235 2/20 0.55
REN P00797 17/20 0.49
CTSD P07339 1/20 0.44
CTSE P14091 1/20 0.44

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
SCHEMBL7319463 0.88 CTSS (0.51) CTSSCTSKRENCTSDCTSE
SCHEMBL7284721 0.87 CTSS (0.55) CTSSCTSKRENCTSDCTSE
SCHEMBL9726146 0.85 CTSS (0.54) CTSSCTSKRENCTSDCTSE
SCHEMBL10386880 0.85 CTSS (0.54) CTSSCTSKRENCTSDCTSE
SCHEMBL9831219 0.85 CTSS (0.54) CTSSCTSKRENCTSDCTSE
SCHEMBL13306504 0.85 CTSS (0.53) CTSSCTSKRENCTSDCTSE
SCHEMBL12920120 0.85 CTSS (0.53) CTSSCTSKRENCTSDCTSE
SCHEMBL7272375 0.85 CTSS (0.53) CTSSCTSKRENCTSDCTSE
SCHEMBL3606572 0.85 CTSS (0.53) CTSSCTSKRENCTSDCTSE
SCHEMBL3606578 0.85 CTSS (0.53) CTSSCTSKRENCTSDCTSE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders VITAE PHARMACEUTICALS, INC. 2009-07-23 US 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-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders DNPEP, ACE, DPEP1 CTSS 204/4885CTSK 175/4885REN 13/4885

“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.