SCHEMBL176867

SCHEMBL176867

N[C@@H](CCC(=O)Nc1ccc(O)c(C(=O)O)c1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.60
KDM4C Q9H3R0 2/20 0.56
GRM8 O00222 1/20 0.51
GRM4 Q14833 1/20 0.51
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
CASR P41180 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46

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
Hydrochloric Acid SCHEMBL11250845 0.99 LTA4H (0.59) LTA4HKDM4CGRM8GRM4HSD17B10
SCHEMBL30502422 0.87 LTA4H (0.65) LTA4HHSD17B10KDM4EALDH1A1CASR
SCHEMBL7039236 0.86 LTA4H (0.60) LTA4HALDH1A1CASR
SCHEMBL6006561 0.85 LTA4H (0.59) LTA4HKDM4EALDH1A1CASRPOLB
SCHEMBL10599992 0.83 LTA4H (0.59) LTA4HALDH1A1HPGDCASRPOLB
SCHEMBL176775 0.82 LTA4H (0.55) LTA4HKDM4CCASRTDP1
SCHEMBL11574416 0.82 LTA4H (0.55) LTA4HCASR
SCHEMBL14586345 0.81 LTA4H (0.54) LTA4HGRM8GRM4ALDH1A1
SCHEMBL1870730 0.81 LTA4H (0.54) LTA4HGRM8GRM4ALDH1A1
SCHEMBL29355173 0.81 LTA4H (0.54) LTA4HGRM8GRM4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4336331-A Method for assaying the activity of γ-glutamyl transpeptidase in serum NITTO BOSEKI CO., LTD. (JP) 1982-06-22 US claimed
US-4281181-A SUBSTRATE FOR ASSAYING GLUTAMYL TRANSPEPTIDASE NITTO BOSEKI CO., LTD. (JP) 1981-07-28 US claimed
JP-56023897-A None JP disclosed
JP-59232099-A None JP disclosed
EP-2345636-B1 CASR AGONIST AJINOMOTO KK (JP) 2016-03-30 EP disclosed
US-9174932-B2 CaSR agonists AJINOMOTO CO., INC. (JP) 2015-11-03 US disclosed
US-9000208-B2 Glutamate derivatives or salts thereof AJINOMOTO CO., INC. (JP) 2015-04-07 US disclosed
US-8877739-B2 Prophylactic agent or therapeutic agent for diabetes or obesity AJINOMOTO CO., INC. (JP) 2014-11-04 US disclosed
US-20140303122-A1 CASR AGONISTS AJINOMOTO CO., INC. (JP) 2014-10-09 US disclosed
US-8796485-B2 CaSR agonists AJINOMOTO CO., INC. (JP) 2014-08-05 US disclosed
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY AJINOMOTO CO., INC. (JP) 2013-04-25 US disclosed
US-20110251418-A1 CASR AGONISTS AJINOMOTO CO., INC. (JP) 2011-10-13 US disclosed
EP-2345636-A1 CASR AGONIST Ajinomoto Co., Inc. (JP) 2011-07-20 EP disclosed
JP-S59232099-A DETERMINATION OF ENZYMATIC ACTIVITY KYOWA MEDETSUKUSU KK 1984-12-26 JP disclosed
US-4336331-A Method for assaying the activity of γ-glutamyl transpeptidase in serum NITTO BOSEKI CO., LTD. (JP) 1982-06-22 US disclosed
US-4336331-A Method for assaying the activity of γ-glutamyl transpeptidase in serum NITTO BOSEKI CO., LTD. (JP) 1982-06-22 US disclosed
US-4281181-A SUBSTRATE FOR ASSAYING GLUTAMYL TRANSPEPTIDASE NITTO BOSEKI CO., LTD. (JP) 1981-07-28 US disclosed
US-4281181-A SUBSTRATE FOR ASSAYING GLUTAMYL TRANSPEPTIDASE NITTO BOSEKI CO., LTD. (JP) 1981-07-28 US disclosed
US-4281181-A SUBSTRATE FOR ASSAYING GLUTAMYL TRANSPEPTIDASE NITTO BOSEKI CO., LTD. (JP) 1981-07-28 US disclosed
JP-S5623897-A MEASUREMENT OF GAMMA-GTP ACTIVITY BY USING NOVEL SUBSTRATE YATORON:KK 1981-03-06 JP 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 (3 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-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 LTA4H 2221/4885KDM4C 4513/4885GRM8 86/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR LTA4H 1419/4885KDM4C 4860/4885GRM8 934/4885
US-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 LTA4H 2221/4885KDM4C 4513/4885GRM8 86/4885

“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.