SCHEMBL20669523

SCHEMBL20669523

C[C@@H](NC(=O)[C@@H](CCN=[N+]=[N-])NC(=O)OC(C)(C)C)C(=O)OCC[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.38
▸ CTSS P25774 8/20 0.38
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ MAPT P10636 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ CAPN1 P07384 1/20 0.33
▸ RECQL P46063 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL17986699 0.91 CTSK (0.37) CTSKCTSSCTSLCTSBMAPT
SCHEMBL20669522 0.85 CTSK (0.43) CTSKCTSSCTSLCTSBMAPT
SCHEMBL17986719 0.80 KMT2A (0.36) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL28272672 0.79 CA1 (0.44) CTSKCTSSCTSLCTSBMAPT
SCHEMBL16579343 0.79 CA1 (0.44) CTSKCTSSCTSLCTSBMAPT
SCHEMBL16579342 0.76 CTSK (0.42) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL17747017 0.76 CTSK (0.40) CTSKCTSSCTSLCTSBCA2
SCHEMBL17747019 0.76 CTSK (0.40) CTSKCTSSCTSLCTSBCA2
SCHEMBL17973545 0.75 — —
SCHEMBL21437807 0.74 CTSK (0.44) CTSKCTSSCTSLCTSBCA2

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-20190024132-A1 D-ALA-D-ALA-BASED DIPEPTIDES AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2019-01-24 — — 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-20190024132-A1 D-ALA-D-ALA-BASED DIPEPTIDES AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS DNPEP, DDOST, ALAD CTSK 2038/4885CTSS 3002/4885CTSL 788/4885

“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.

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