SCHEMBL2128359

SCHEMBL2128359

CC(C)CSC[C@H](N)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.54
ARG1 P05089 1/20 0.52
ARG2 P78540 1/20 0.52
NOS2 P35228 3/20 0.50
NOS1 P29475 2/20 0.50
NOS3 P29474 1/20 0.50
SLC1A3 P43003 3/20 0.47
SLC1A2 P43004 3/20 0.47
BHMT Q93088 2/20 0.46
BHMT2 Q9H2M3 1/20 0.46
SLC1A1 P43005 2/20 0.44
KIF11 P52732 4/20 0.42
PTGS1 P23219 1/20 0.41
SLC7A11 Q9UPY5 1/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
GRIK1 P39086 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL23085771 1.00 SLC7A5 (0.54) SLC7A5ARG1ARG2NOS2NOS1
Alanine SCHEMBL9937853 0.88 ARG1 (0.53) SLC7A5ARG1ARG2NOS2NOS1
Alanine SCHEMBL9937851 0.88 ARG1 (0.53) SLC7A5ARG1ARG2NOS2NOS1
Alanine SCHEMBL9937848 0.88 ARG1 (0.53) SLC7A5ARG1ARG2NOS2NOS1
SCHEMBL29378137 0.88 ARG1 (0.61) SLC7A5ARG1ARG2NOS2NOS1
SCHEMBL36935 0.88 ARG1 (0.61) SLC7A5ARG1ARG2NOS2NOS1
SCHEMBL29393779 0.88 ARG1 (0.61) SLC7A5ARG1ARG2NOS2NOS1
SCHEMBL36934 0.88 ARG1 (0.61) SLC7A5ARG1ARG2NOS2NOS1
SCHEMBL36933 0.88 ARG1 (0.61) SLC7A5ARG1ARG2NOS2NOS1
Hydrogen Sulfide SCHEMBL5666458 0.85 ARG1 (0.59) SLC7A5ARG1ARG2NOS2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445872-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES Merck Canada Inc. (CA) 2012-05-02 EP disclosed
US-20120101053-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES MERCK CANADA INC. (CA) 2012-04-26 US disclosed
WO-2010148488-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES MERCK FROSST CANADA LTD. (CA) 2010-12-29 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-20120101053-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES CTSL, CTSS, CTSZ SLC7A5 1040/4885ARG1 1973/4885ARG2 946/4885

“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.