SCHEMBL20185745

SCHEMBL20185745

CN(C(=O)CC#N)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.42
CTSK P43235 5/20 0.42
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
ALDH1A1 P00352 2/20 0.39
FOLH1 Q04609 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
ACE P12821 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
PAX8 Q06710 1/20 0.37

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
SCHEMBL20185746 1.00 CTSS (0.42) CTSSCTSKCTSLCTSBCA1
SCHEMBL20185749 0.76 KIF11 (0.39)
SCHEMBL20185751 0.76 KIF11 (0.39)
SCHEMBL20202842 0.73 KIF11 (0.44)
SCHEMBL8121075 0.72 NPSR1 (0.52) CTSSCTSKCA1CA2ALDH1A1
SCHEMBL8121078 0.72 NPSR1 (0.52) CTSSCTSKCA1CA2ALDH1A1
SCHEMBL9091074 0.71 KIF11 (0.57)
SCHEMBL23152564 0.71 ACE (0.49) ACE
SCHEMBL23152565 0.71 ACE (0.49) ACE
SCHEMBL30058464 0.71 CTSK (0.48) CTSSCTSKCA1CA2ALDH1A1

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-10413583-B2 Synthetic substrates for enzymes that catalyze reactions of modified cysteines and related methods THE UNIVERSITY OF CHICAGO (US) 2019-09-17 US disclosed
US-20180147250-A1 SYNTHETIC SUBSTRATES FOR ENZYMES THAT CATALYZE REACTIONS OF MODIFIED CYSTEINES AND RELATED METHODS THE UNIVERSITY OF CHICAGO 2018-05-31 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-10413583-B2 Synthetic substrates for enzymes that catalyze reactions of modified cysteines and related methods DNPEP, PTMS, CTH CTSS 38/4885CTSK 186/4885CTSL 127/4885
US-20180147250-A1 SYNTHETIC SUBSTRATES FOR ENZYMES THAT CATALYZE REACTIONS OF MODIFIED CYSTEINES AND RELATED METHODS DNPEP, PTMS, CTH CTSS 38/4885CTSK 186/4885CTSL 127/4885

“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.