SCHEMBL16579342

SCHEMBL16579342

CCCCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)OCC[Si](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.42
CTSS P25774 6/20 0.42
CAPN1 P07384 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL16579319 0.89 CTSK (0.44) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL30196313 0.88 CTSK (0.47) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL8140881 0.84 CTSK (0.48) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL20669522 0.81 CTSK (0.43) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL20669524 0.81 CTSS (0.63) CTSKCTSSCTSLCTSBL3MBTL1
SCHEMBL28272672 0.80 CA1 (0.44) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL16579343 0.80 CA1 (0.44) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL15936967 0.79 CTSK (0.49) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL16317053 0.78 CTSK (0.53) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL15289834 0.78 CTSK (0.49) CTSKCTSSCAPN1CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222430-A1 D-ALA-D-ALA-BASED DIPEPTIDES AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2016-08-04 US disclosed
WO-2015038764-A1 D-ALA-D-ALA-BASED DIPEPTIDES AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-03-19 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-20160222430-A1 D-ALA-D-ALA-BASED DIPEPTIDES AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS DNPEP, DDOST, ALAD CTSK 2038/4885CTSS 3002/4885CAPN1 3356/4885

“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.