SCHEMBL3534047

SCHEMBL3534047

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.60
ARG2 P78540 4/20 0.54
ARG1 P05089 3/20 0.54
CYP1A2 P05177 3/20 0.52
GRM8 O00222 1/20 0.52
GRM6 O15303 1/20 0.52
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
GRIK1 P39086 1/20 0.52
GRM5 P41594 1/20 0.52
GRIA1 P42261 1/20 0.52
GRIA2 P42262 1/20 0.52
GRIA3 P42263 1/20 0.52
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
GRIA4 P48058 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIK2 Q13002 1/20 0.52

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
SCHEMBL25661160 1.00 GSR (0.60) GSRARG2ARG1CYP1A2GRM8
SCHEMBL17323357 0.89 GSR (0.71) GSRARG2ARG1CYP1A2GRM8
SCHEMBL29291 0.89 GSR (0.71) GSRARG2ARG1CYP1A2GRM8
SCHEMBL29387596 0.89 GSR (0.71) GSRARG2ARG1CYP1A2GRM8
SCHEMBL10135848 0.89 GSR (0.71) GSRARG2ARG1CYP1A2GRM8
SCHEMBL15987065 0.89 GSR (0.71) GSRARG2ARG1CYP1A2GRM8
SCHEMBL29289 0.89 GSR (0.71) GSRARG2ARG1CYP1A2GRM8
SCHEMBL19758974 0.85 GSR (0.60) GSRARG2ARG1CYP1A2GRM8
SCHEMBL208932 0.85 GSR (0.60) GSRARG2ARG1CYP1A2GRM8
SCHEMBL208933 0.85 GSR (0.60) GSRARG2ARG1CYP1A2GRM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825014-B2 FORMING AN ACETAL OF 5-FORMYL-2-AMINOVALERIC ACID FROM AN ACETAL OF 5-(3-FORMYLPROPYL)HYDANTOIN USING A HYDANTOINASE AND A D- OR L-SPECIFIC CARBAMOYLASE, UNDER CONDITIONS SUITABLE FOR IN SITU RACEMISATION DEGUSSA AG (DE) 2004-11-30 US claimed
EP-1305441-A1 PROCESS FOR THE PREPARATION OF ALLYSINE ACETAL Degussa AG (DE) 2003-05-02 EP claimed
US-20020132848-A1 Process for the preparation of allysine acetal DEGUSSA AG (DE) 2002-09-19 US claimed
WO-2002010424-A1 PROCESS FOR THE PREPARATION OF ALLYSINE ACETAL DEGUSSA AG (DE) 2002-02-07 WO claimed
US-7671231-B2 L-allysine acetal prepared by contacting a 2-butene acetal with a hydroformylation catalyst and synthesis gas to prepare aldehyde mixture; contacting with an enantioselective hydrolase in the presence of water and hydrocyanic acid/ammonia; separation from branched derivatives LLOYD MICHAEL C 2010-03-02 US disclosed
US-20070166806-A1 Process for making amino acids LLOYD MICHAEL C 2007-07-19 US disclosed
US-6825014-B2 FORMING AN ACETAL OF 5-FORMYL-2-AMINOVALERIC ACID FROM AN ACETAL OF 5-(3-FORMYLPROPYL)HYDANTOIN USING A HYDANTOINASE AND A D- OR L-SPECIFIC CARBAMOYLASE, UNDER CONDITIONS SUITABLE FOR IN SITU RACEMISATION DEGUSSA AG (DE) 2004-11-30 US disclosed
US-6825014-B2 FORMING AN ACETAL OF 5-FORMYL-2-AMINOVALERIC ACID FROM AN ACETAL OF 5-(3-FORMYLPROPYL)HYDANTOIN USING A HYDANTOINASE AND A D- OR L-SPECIFIC CARBAMOYLASE, UNDER CONDITIONS SUITABLE FOR IN SITU RACEMISATION DEGUSSA AG (DE) 2004-11-30 US disclosed
EP-1305441-A1 PROCESS FOR THE PREPARATION OF ALLYSINE ACETAL Degussa AG (DE) 2003-05-02 EP disclosed
EP-1305441-A1 PROCESS FOR THE PREPARATION OF ALLYSINE ACETAL Degussa AG (DE) 2003-05-02 EP disclosed
US-20020132848-A1 Process for the preparation of allysine acetal DEGUSSA AG (DE) 2002-09-19 US disclosed
US-20020132848-A1 Process for the preparation of allysine acetal DEGUSSA AG (DE) 2002-09-19 US disclosed
WO-2002010424-A1 PROCESS FOR THE PREPARATION OF ALLYSINE ACETAL DEGUSSA AG (DE) 2002-02-07 WO disclosed
WO-2002010424-A1 PROCESS FOR THE PREPARATION OF ALLYSINE ACETAL DEGUSSA AG (DE) 2002-02-07 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-20070166806-A1 Process for making amino acids DDC, ALDH7A1, ASPH GSR 2522/4885ARG2 566/4885ARG1 320/4885
US-20020132848-A1 Process for the preparation of allysine acetal NOTUM, ALDH7A1, HPD GSR 1720/4885ARG2 871/4885ARG1 545/4885

“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.