SCHEMBL7288155

SCHEMBL7288155

CNC(=O)[C@@H](N)CCSC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.41
RNPEP Q9H4A4 1/20 0.41
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
ANPEP P15144 1/20 0.39
ENPEP Q07075 1/20 0.39
FNTA P49354 3/20 0.37
FNTB P49356 3/20 0.37
PGGT1B P53609 2/20 0.37
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36
MARS1 P56192 1/20 0.36
DPP7 Q9UHL4 1/20 0.35
BHMT Q93088 1/20 0.35
BHMT2 Q9H2M3 1/20 0.35
SLC15A1 P46059 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 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
SCHEMBL6690311 1.00 CTSC (0.41) CTSCRNPEPMETAP2METAP1ANPEP
Acetic Acid SCHEMBL11102115 0.94 RNPEP (0.41) CTSCRNPEPMETAP2METAP1ANPEP
SCHEMBL17746783 0.85 SLC15A1 (0.48) CTSCRNPEPMETAP2METAP1ANPEP
SCHEMBL1920676 0.83 CTSC (0.41) CTSCRNPEPMETAP2METAP1ANPEP
SCHEMBL3686360 0.83 CTSC (0.41) CTSCRNPEPMETAP2METAP1ANPEP
SCHEMBL1896269 0.83 CTSC (0.41) CTSCRNPEPMETAP2METAP1ANPEP
SCHEMBL28323413 0.83 CTSC (0.41) CTSCRNPEPMETAP2METAP1ANPEP
SCHEMBL11101944 0.83 CTSC (0.41) CTSCRNPEPMETAP2METAP1ANPEP
SCHEMBL10080417 0.82
SCHEMBL21135259 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0050503-B1 PHARMACOLOGICALLY ACTIVE PENTAPEPTIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-07-04 EP claimed
EP-0050503-A1 Pharmacologically active pentapeptide derivatives ELI LILLY AND COMPANY (US) 1982-04-28 EP claimed
WO-2018109496-A2 UNNATURAL AMINO ACIDS THE UNIVERSITY OF BRISTOL (GB) 2018-06-21 WO disclosed
WO-2018109496-A2 UNNATURAL AMINO ACIDS THE UNIVERSITY OF BRISTOL (GB) 2018-06-21 WO disclosed
US-20170101439-A1 GAMMA-AA-PEPTIDE STAT3/DNA INHIBITORS AND METHODS OF USE UNIVERSITY OF SOUTH FLORIDA (US) 2017-04-13 US disclosed
US-20120196933-A1 MEXILETINE PRODRUGS FRANKLIN RICHARD (GB) 2012-08-02 US disclosed
WO-2012085586-A1 MEXILETINE PRODRUGS SHIRE, LLC (US) 2012-06-28 WO disclosed
US-5481026-A ADDITION POLYMERIZABLE TO CHROMATOGRAPHIC SUPPORTS FOR SEPARATION OF RACEMIC MIXTURES BAYER AKTIENGESELLSCHAFT (DE) 1996-01-02 US disclosed
US-5357001-A Optically active amino acid sulphoxide and amino acid sulphone derivatives, their preparation, their polymerisation and use as adsorbents for chromatographic resolution of racemates BAYER AKTIENGESELLSCHAFT (DE) 1994-10-18 US disclosed
US-5252560-A Cyclic imide derivatives, compositions and use GLAXO INC. (US) 1993-10-12 US disclosed
EP-0520573-A1 Cyclic imide derivatives GLAXO INC. (US) 1992-12-30 EP disclosed
EP-0220417-B1 PROCESS FOR THE ENANTIOSELECTIVE PREPARATION OF ALPHA-VINYL-ALPHA-AMINOCARBOXYLIC ACIDS Degussa Aktiengesellschaft (DE) 1989-07-19 EP disclosed
EP-0220417-A1 Process for the enantioselective preparation of alpha-vinyl-alpha-aminocarboxylic acids Degussa Aktiengesellschaft (DE) 1987-05-06 EP disclosed
EP-0137351-B1 Process for the enantioselective préparation of acyclic alpha-alkylated alpha-aminecarboxylic acids Degussa Aktiengesellschaft (DE) 1987-03-04 EP disclosed
EP-0137351-A2 Process for the enantioselective préparation of acyclic alpha-alkylated alpha-aminecarboxylic acids Degussa Aktiengesellschaft (DE) 1985-04-17 EP disclosed
EP-0050503-B1 PHARMACOLOGICALLY ACTIVE PENTAPEPTIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-07-04 EP disclosed
EP-0050503-A1 Pharmacologically active pentapeptide derivatives ELI LILLY AND COMPANY (US) 1982-04-28 EP disclosed
EP-0030848-A2 Pharmacologically active peptides, their preparation and pharmaceutical compositions containing them ELI LILLY AND COMPANY (US) 1981-06-24 EP 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-20120196933-A1 MEXILETINE PRODRUGS SLC16A1, MTPN, SLC16A3 CTSC 520/4885RNPEP 1358/4885METAP2 341/4885
US-20170101439-A1 GAMMA-AA-PEPTIDE STAT3/DNA INHIBITORS AND METHODS OF USE STAT3, JAK2, STAT1 CTSC 2099/4885RNPEP 767/4885METAP2 2438/4885

“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.