SCHEMBL2722969

SCHEMBL2722969

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.56
ARG2 P78540 5/20 0.50
ARG1 P05089 3/20 0.50
NOS2 P35228 4/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 2/20 0.48
TSHR P16473 2/20 0.48
GLA P06280 1/20 0.48
NFKB1 P19838 1/20 0.48
APEX1 P27695 1/20 0.48
GRM8 O00222 1/20 0.48
GRM6 O15303 1/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 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

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
SCHEMBL198242 1.00 GSR (0.56) GSRARG2ARG1NOS2CYP1A2
SCHEMBL79859 1.00 GSR (0.56) GSRARG2ARG1NOS2CYP1A2
SCHEMBL30463729 0.98 GSR (0.54) GSRARG2ARG1NOS2CYP1A2
SCHEMBL259006 0.93 GSR (0.59) GSRARG2ARG1NOS2CYP1A2
SCHEMBL3423971 0.93 GSR (0.59) GSRARG2ARG1NOS2CYP1A2
SCHEMBL17262412 0.93 GSR (0.59) GSRARG2ARG1NOS2CYP1A2
SCHEMBL29958570 0.91 GSR (0.57) GSRARG2ARG1NOS2CYP1A2
SCHEMBL2599185 0.91 GSR (0.57) GSRARG2ARG1NOS2CYP1A2
Ornithine SCHEMBL10560893 0.88 GSR (0.64) GSRARG2ARG1NOS2CYP1A2
Lysine SCHEMBL4956653 0.86 GSR (0.74) GSRARG2ARG1NOS2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3794011-A1 AMINO ACID SALTS OF NICOTINIC ACID MONONUCLEOTIDE AND NICOTINAMIDE MONONUCLEOTIDE AS ANTI-AGEING AGENTS Jumpstart Fertility Pty Ltd (AU) 2021-03-24 EP claimed
US-20170113993-A1 ORGANIC ACIDS FROM HOMOCITRATE AND HOMOCITRATE DERIVATIVES MITSUI & CO., LTD. (JP) 2017-04-27 US disclosed
US-20170113993-A1 ORGANIC ACIDS FROM HOMOCITRATE AND HOMOCITRATE DERIVATIVES MITSUI & CO., LTD. (JP) 2017-04-27 US disclosed
EP-2632895-A1 HIV PROTEASE INHIBITORS Merck Canada Inc. (CA) 2013-09-04 EP disclosed
WO-2012055031-A1 HIV PROTEASE INHIBITORS MERCK CANADA INC. (CA) 2012-05-03 WO disclosed
US-4284766-A Process for the preparation of cephalosporin compounds GLAXO GROUP LIMITED (GB) 1981-08-18 US disclosed
US-4284767-A Process for preparing 3-carbamoyloxymethyl cephalosporins GLAXO GROUP LIMITED (GB) 1981-08-18 US disclosed
US-4258183-A Process for the preparation of cephalosporin compounds GLAXO GROUP LIMITED (GB) 1981-03-24 US disclosed
US-4252974-A Cephalosporin compounds GLAXO GROUP LIMITED (GB) 1981-02-24 US 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-20170113993-A1 ORGANIC ACIDS FROM HOMOCITRATE AND HOMOCITRATE DERIVATIVES HOGA1, FABP4, HAGH GSR 834/4885ARG2 1170/4885ARG1 3868/4885

“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.