SCHEMBL17986719

SCHEMBL17986719

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.36
▸ CTSK P43235 8/20 0.34
▸ CTSS P25774 6/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ GLS O94925 1/20 0.34
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GLA P06280 1/20 0.31
▸ CAPN1 P07384 1/20 0.31
▸ ATM Q13315 1/20 0.31

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 0.87 CTSK (0.37) KMT2ACTSKCTSSCTSLCTSB
SCHEMBL17973548 0.83 — —
SCHEMBL16579345 0.81 KMT2A (0.41) KMT2ACTSKCTSSCTSLCTSB
SCHEMBL20669517 0.81 KMT2A (0.41) KMT2ACTSKCTSSCTSLCTSB
SCHEMBL20669523 0.80 CTSK (0.38) KMT2ACTSKCTSSCTSLCTSB
SCHEMBL28272672 0.77 CA1 (0.44) KMT2ACTSKCTSSCTSLCTSB
SCHEMBL16579343 0.77 CA1 (0.44) KMT2ACTSKCTSSCTSLCTSB
SCHEMBL14497053 0.76 CYP1A2 (0.41) CTSKCTSSCTSLCTSBCA1
SCHEMBL15295107 0.76 CTSK (0.44) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL17080907 0.75 CYP1A2 (0.40) CTSKCTSSCTSLCTSBCA1

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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 KMT2A 3364/4885CTSK 2038/4885CTSS 3002/4885
US-20190024132-A1 D-ALA-D-ALA-BASED DIPEPTIDES AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS DNPEP, DDOST, ALAD KMT2A 3364/4885CTSK 2038/4885CTSS 3002/4885

“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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