SCHEMBL301073

SCHEMBL301073

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.65
GRM8 O00222 1/20 0.65
GRM6 O15303 1/20 0.65
GRIN2D O15399 1/20 0.65
GRIN3B O60391 1/20 0.65
GSR P00390 1/20 0.65
GRIK1 P39086 1/20 0.65
GRM5 P41594 1/20 0.65
GRIA1 P42261 1/20 0.65
GRIA2 P42262 1/20 0.65
GRIA3 P42263 1/20 0.65
SLC1A3 P43003 1/20 0.65
SLC1A2 P43004 1/20 0.65
SLC1A1 P43005 1/20 0.65
GRIA4 P48058 1/20 0.65
GRIN1 Q05586 1/20 0.65
GRIN2A Q12879 1/20 0.65
GRIK2 Q13002 1/20 0.65
GRIK3 Q13003 1/20 0.65
GRIN2B Q13224 1/20 0.65

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
SCHEMBL30978878 0.85 CYP1A2 (0.65) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL900033 0.83 GRM8 (0.62) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL301074 0.83 ALOX15 (0.67) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL15672142 0.81 CYP1A2 (0.60) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL16900192 0.81 GRM8 (0.60) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL16541568 0.81 CYP1A2 (0.60) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL16204518 0.81 BLM (0.64) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL5842267 0.80 CYP1A2 (0.65) CYP1A2GRM8GRM6GRIN2DGRIN3B
Glutamic Acid SCHEMBL5823746 0.80 GRM8 (0.90) CYP1A2GRM8GRM6GRIN2DGRIN3B
D-Glutamate SCHEMBL5823743 0.80 GRM8 (0.90) CYP1A2GRM8GRM6GRIN2DGRIN3B

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272951-B1 Vitamin k epoxide recycling polypeptide vkorc1, a therapeutic target of coumarin and their derivatives BAXTER INT (US) 2014-07-23 EP claimed
EP-2189523-B1 Vitamin K epoxide recycling polypeptide VKORC1, a therapeutic target of coumarin and their derivatives BAXTER INT (US) 2012-01-04 EP claimed
EP-2272951-A1 Vitamin k epoxide recycling polypeptide vkorc1, a therapeutic target of coumarin and their derivatives Baxter International Inc (US) 2011-01-12 EP claimed
EP-2189523-A1 Vitamin K epoxide recycling polypeptide VKORC1, a therapeutic target of coumarin and their derivatives Baxter International Inc. (US) 2010-05-26 EP claimed
US-5116730-A AMINO ACID SUBSTITUTED 4-AMINOPHENAZONES FOR MEASURING ENZYME ACTIVITY BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1992-05-26 US claimed
EP-0346870-A2 Novel amino acid substituted 4-aminophenazones for measuring enzyme activity THE BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1989-12-20 EP claimed
US-20200217281-A1 SYSTEM AND METHOD FOR ON-BOARD ELECTROCHEMICAL UPGRADING OF HYDROCARBON FUELS SAUDI ARABIAN OIL COMPANY (SA) 2020-07-09 US disclosed
CN-101090977-B Tripeptide and tetrapeptide thioethers TELIK INC 2013-04-10 CN disclosed
US-7777046-B2 Method of synthesis of a salt of N-acetyl-L-cysteinylcobalamin KENT STATE UNIVERSITY (US) 2010-08-17 US disclosed
WO-2009062136-A2 CONTROLLED DELIVERY OF INSULIN FROM THERMO-SENSITIVE POLYMER SOLUTION NDSU RESEARCH FOUNDATION (US) 2009-05-14 WO disclosed
EP-1833978-B1 TRIPEPTIDE AND TETRAPEPTIDE THIOETHERS TELIK INC (US) 2008-10-08 EP disclosed
US-20080234489-A1 Method of synthesis of the sodium salt of N-acetyl-L-cysteinylcobalamin KENT STATE UNIVERSITY 2008-09-25 US disclosed
CN-101090977-A Tripeptide and tetrapeptide thioethers TELIK INC (US) 2007-12-19 CN disclosed
US-5607659-A Directed biodistribution of radiolabelled biotin using carbohydrate polymers NEORX CORPORATION (US) 1997-03-04 US disclosed
WO-1996034966-A2 ENGINEERING PROTEIN POSTTRANSLATIONAL MODIFICATION IN TRANSGENIC ORGANISMS AMERICAN RED CROSS (US) 1996-11-07 WO disclosed
EP-0683676-A1 DIRECTED BIODISTRIBUTION OF SMALL MOLECULES NEORX CORPORATION (US) 1995-11-29 EP disclosed
WO-1994017829-A1 DIRECTED BIODISTRIBUTION OF SMALL MOLECULES NEORX CORPORATION (US) 1994-08-18 WO disclosed
US-5116730-A AMINO ACID SUBSTITUTED 4-AMINOPHENAZONES FOR MEASURING ENZYME ACTIVITY BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1992-05-26 US disclosed
US-5081259-A Novel amino acid substituted 4-aminophenazones for measuring enzyme activity ABBOTT LABORATORIES (US) 1992-01-14 US disclosed
EP-0346870-A2 Novel amino acid substituted 4-aminophenazones for measuring enzyme activity THE BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1989-12-20 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 (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-20080234489-A1 Method of synthesis of the sodium salt of N-acetyl-L-cysteinylcobalamin MMAB, CBS, NCLN CYP1A2 2969/4885GRM8 4388/4885GRM6 3818/4885

“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.