SCHEMBL4677572

SCHEMBL4677572

NC(CSCC(=O)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.52
ARG2 P78540 1/20 0.52
NOS2 P35228 3/20 0.46
NOS1 P29475 2/20 0.46
NOS3 P29474 1/20 0.46
BHMT Q93088 4/20 0.42
PTGS1 P23219 1/20 0.41
SLC7A11 Q9UPY5 1/20 0.41
GRIK1 P39086 4/20 0.40
GRIK2 Q13002 3/20 0.40
GRM1 Q13255 2/20 0.40
GRM2 Q14416 2/20 0.40
ALOX15 P16050 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SLC7A5 Q01650 1/20 0.38
GRM8 O00222 1/20 0.38
GRM6 O15303 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GSR P00390 1/20 0.38

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
SCHEMBL14302976 0.84 GRIK1 (0.43) ARG1ARG2NOS2NOS1NOS3
SCHEMBL27552293 0.84 ARG1 (0.53) ARG1ARG2NOS2NOS1NOS3
Carbocysteine SCHEMBL69149 0.84 BHMT (0.59) ARG1ARG2NOS2NOS1NOS3
SCHEMBL1848592 0.84 ARG1 (0.53) ARG1ARG2NOS2NOS1NOS3
SCHEMBL18788686 0.84 ARG1 (0.53) ARG1ARG2NOS2NOS1NOS3
Carbocysteine SCHEMBL9236855 0.84 BHMT (0.59) ARG1ARG2NOS2NOS1NOS3
Carbocysteine SCHEMBL6762355 0.84 BHMT (0.59) ARG1ARG2NOS2NOS1NOS3
Carbocysteine SCHEMBL20854 0.84 BHMT (0.59) ARG1ARG2NOS2NOS1NOS3
SCHEMBL2781165 0.84 ARG1 (0.53) ARG1ARG2NOS2NOS1NOS3
SCHEMBL36933 0.83 ARG1 (0.61) ARG1ARG2NOS2NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683055-B2 Lanthionine-related compounds for the treatment of inflammatory diseases OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2010-03-23 US disclosed
EP-1392639-B1 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2008-09-17 EP disclosed
US-20070197515-A1 LANTHIONINE-RELATED COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES OKLAHOMA MEDICAL RESEARCH FOUNDATION 2007-08-23 US disclosed
EP-1392639-A4 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2006-01-25 EP disclosed
US-6916850-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-6900218-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-05-31 US disclosed
EP-1392639-A1 PYRUVATE DERIVATIVES Galileo Laboratories, Inc. (US) 2004-03-03 EP disclosed
US-20030013846-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US disclosed
US-20030013656-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US disclosed
US-20030013847-A1 Cytoprotective agents MONSANTO TECHNOLOGY LLC 2003-01-16 US disclosed
US-20030013657-A1 Pyruvate derivatives MONSANTO TECHNOLOGY, LLC. 2003-01-16 US disclosed
WO-2002090314-A1 PYRUVATE DERIVATIVES GALILEO LABORATORIES, INC. (US) 2002-11-14 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 (5 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-20030013847-A1 Cytoprotective agents PC, PDK1, PDK2 ARG1 3068/4885ARG2 304/4885NOS2 2542/4885
US-20030013657-A1 Pyruvate derivatives PC, PDK1, PDK4 ARG1 2990/4885ARG2 471/4885NOS2 2879/4885
US-20070197515-A1 LANTHIONINE-RELATED COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES SLC7A11, AADAT, TSPO ARG1 1529/4885ARG2 784/4885NOS2 257/4885
US-20030013846-A1 Pyruvate derivatives PC, PDK1, PDK4 ARG1 2990/4885ARG2 471/4885NOS2 2879/4885
US-20030013656-A1 Pyruvate derivatives PC, PDK1, PDK4 ARG1 2990/4885ARG2 471/4885NOS2 2879/4885

“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.