SCHEMBL995284

SCHEMBL995284

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.55
ARG2 P78540 1/20 0.55
NOS2 P35228 3/20 0.48
NOS1 P29475 2/20 0.48
NOS3 P29474 1/20 0.48
PTGS1 P23219 1/20 0.44
SLC7A11 Q9UPY5 1/20 0.44
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 2/20 0.41
GSR P00390 2/20 0.41
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
GRM1 Q13255 2/20 0.41
GRM2 Q14416 2/20 0.41
SLC7A5 Q01650 1/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL995282 1.00 ARG1 (0.55) ARG1ARG2NOS2NOS1NOS3
SCHEMBL36933 0.92 ARG1 (0.61) ARG1ARG2NOS2NOS1NOS3
SCHEMBL36935 0.92 ARG1 (0.61) ARG1ARG2NOS2NOS1NOS3
SCHEMBL36934 0.92 ARG1 (0.61) ARG1ARG2NOS2NOS1NOS3
SCHEMBL29393779 0.92 ARG1 (0.61) ARG1ARG2NOS2NOS1NOS3
SCHEMBL29378137 0.92 ARG1 (0.61) ARG1ARG2NOS2NOS1NOS3
Hydrogen Sulfide SCHEMBL5666458 0.90 ARG1 (0.59) ARG1ARG2NOS2NOS1NOS3
Selenium SCHEMBL29993624 0.90 ARG1 (0.59) ARG1ARG2NOS2NOS1NOS3
Alanine SCHEMBL9937853 0.83 ARG1 (0.53) ARG1ARG2NOS2NOS1NOS3
Alanine SCHEMBL9937848 0.83 ARG1 (0.53) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110014226-A1 HIGH THROUGHPUT PROTEIN INTERACTION ASSAY MERCK SHARP & DOHME CORP. 2011-01-20 US disclosed
US-20090047303-A1 Method for improving the immunogenicity of plasmodium antigens MERCK SHARP & DOHME CORP. 2009-02-19 US disclosed
EP-1603590-A4 INFLUENZA VIRUS VACCINE MERCK & CO INC (US) 2008-08-27 EP disclosed
EP-1885395-A2 A METHOD FOR IMPROVING THE IMMUNOGENICITY OF PLASMODIUM ANTIGENS Merck & Co., Inc. (US) 2008-02-13 EP disclosed
WO-2006124712-A2 A METHOD FOR IMPROVING THE IMMUNOGENICITY OF PLASMODIUM ANTIGENS MERCK & CO., INC. (US) 2006-11-23 WO disclosed
EP-1603590-A2 INFLUENZA VIRUS VACCINE Merck & Co. Inc. (US) 2005-12-14 EP disclosed
WO-2004080403-A2 INFLUENZA VIRUS VACCINE MERCK & CO. INC. (US) 2004-09-23 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-20110014226-A1 HIGH THROUGHPUT PROTEIN INTERACTION ASSAY SSB, AIP, LY96 ARG1 3515/4885ARG2 3736/4885NOS2 3987/4885

“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.