SCHEMBL626301

SCHEMBL626301

N[C@@H](CCC(=O)O)C(=O)[C@](N)(CS)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.48
GRM6 O15303 1/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GSR P00390 1/20 0.48
CYP1A2 P05177 1/20 0.48
GRIK1 P39086 1/20 0.48
GRM5 P41594 1/20 0.48
GRIA1 P42261 1/20 0.48
GRIA2 P42262 1/20 0.48
GRIA3 P42263 1/20 0.48
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
GRIA4 P48058 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIK2 Q13002 1/20 0.48
GRIK3 Q13003 1/20 0.48
GRIN2B Q13224 1/20 0.48

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
SCHEMBL626302 1.00 GRM8 (0.48) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL1713768 0.84 CYP1A2 (0.50) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL1713767 0.84 CYP1A2 (0.50) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL2801195 0.82 CYP1A2 (0.48) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL30297672 0.82 CYP1A2 (0.48) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL3249711 0.81 PTGS1 (0.41) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL10636405 0.81 GRM8 (0.47) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL9759339 0.79 CYP1A2 (0.46) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL3785917 0.79 CYP1A2 (0.46) GRM8GRM6GRIN2DGRIN3BGSR
Hydrochloric Acid SCHEMBL10636188 0.79 GRM8 (0.46) GRM8GRM6GRIN2DGRIN3BGSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991016067-A1 SOLUBLE AND STABLE SOURCES OF TYROSINE, CYSTEINE AND GLUTAMINE FOR TOTAL PARENTERAL NUTRITION RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-10-31 WO claimed
US-8883229-B2 Pesticidal compositions and related methods VALENCIA JOSÉ LUIS MIRANDA (MX) 2014-11-11 US disclosed
US-20130011495-A1 ANTIFUNGAL COMPOUNDS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS- (FR) 2013-01-10 US disclosed
EP-2453745-A2 ANTIFUNGAL COMPOUNDS AND USE THEREOF Centre National de la Recherche Scientifique (FR) 2012-05-23 EP disclosed
US-20120040032-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS MIRANDA VALENCIA JOSE LUIS (MX) 2012-02-16 US disclosed
WO-2011007104-A2 ANTIFUNGAL COMPOUNDS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-01-20 WO disclosed
EP-0931163-A4 ASSESSMENT OF INTRACELLULAR CYSTEINE AND GLUTATHIONE CONCENTRATIONS RES DEV FOUNDATION (US) 2004-08-18 EP disclosed
EP-0931163-A1 ASSESSMENT OF INTRACELLULAR CYSTEINE AND GLUTATHIONE CONCENTRATIONS RESEARCH DEVELOPMENT FOUNDATION (US) 1999-07-28 EP disclosed
WO-1998010092-A1 ASSESSMENT OF INTRACELLULAR CYSTEINE AND GLUTATHIONE CONCENTRATIONS RESEARCH DEVELOPMENT FOUNDATION (US) 1998-03-12 WO disclosed
WO-1991016067-A1 SOLUBLE AND STABLE SOURCES OF TYROSINE, CYSTEINE AND GLUTAMINE FOR TOTAL PARENTERAL NUTRITION RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-10-31 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 (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-20120040032-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS NOTUM, BPHL, ACHE GRM8 669/4885GRM6 470/4885GRIN2D 2894/4885
US-20130011495-A1 ANTIFUNGAL COMPOUNDS AND USE THEREOF SCLY, SUCLG1, ACSL3 GRM8 3970/4885GRM6 3919/4885GRIN2D 3279/4885

“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.