SCHEMBL1783728

SCHEMBL1783728

CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.56
ALDH1A1 P00352 1/20 0.45
CTSL P07711 3/20 0.41
CTSB P07858 3/20 0.41
CTSH P09668 2/20 0.41
CTSS P25774 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
BIRC2 Q13490 2/20 0.38

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
SCHEMBL4292353 1.00 CTSK (0.56) CTSKALDH1A1CTSLCTSBCTSH
SCHEMBL18328801 1.00 CTSK (0.56) CTSKALDH1A1CTSLCTSBCTSH
SCHEMBL1783726 1.00 CTSK (0.56) CTSKALDH1A1CTSLCTSBCTSH
SCHEMBL15756119 1.00 CTSK (0.56) CTSKALDH1A1CTSLCTSBCTSH
SCHEMBL258985 1.00 CTSK (0.56) CTSKALDH1A1CTSLCTSBCTSH
SCHEMBL231491 1.00 CTSK (0.56) CTSKALDH1A1CTSLCTSBCTSH
SCHEMBL8387889 0.99 CTSK (0.57) CTSKALDH1A1CTSLCTSBCTSH
SCHEMBL8972183 0.99 CTSK (0.57) CTSKALDH1A1CTSLCTSBCTSH
SCHEMBL8695376 0.99 CTSK (0.57) CTSKALDH1A1CTSLCTSBCTSH
SCHEMBL9234715 0.93 CTSK (0.52) CTSKALDH1A1CTSLCTSBCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118274-A1 PROTEASOME INHIBITORS AND THEIR USE IN TREATING PATHOGEN INFECTION AND CANCER CORNELL RESEARCH FOUNDATION, INC. (US) 2011-05-19 US disclosed
US-20090220534-A1 METHODS FOR IDENTIFYING T-CELL EPITOPES ASSOCIATED WITH IMPAIRED PEPTIDE PROCESSING AND APPLICATIONS OF THE IDENTIFIED EPITOPES LEIDEN UNIVERSITY MEDICAL CENTER 2009-09-03 US disclosed
WO-2009026579-A1 PROTEASOME INHIBITORS AND THEIR USE IN TREATING PATHOGEN INFECTION AND CANCER CORNELL RESEARCH FOUNDATION, INC. (US) 2009-02-26 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-20110118274-A1 PROTEASOME INHIBITORS AND THEIR USE IN TREATING PATHOGEN INFECTION AND CANCER PSMB1, PSME1, PSMB2 CTSK 821/4885ALDH1A1 3881/4885CTSL 657/4885

“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.