SCHEMBL9628017

SCHEMBL9628017

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 6/20 0.58
ALDH1A1 P00352 2/20 0.53
FOLH1 Q04609 4/20 0.53
PTGS1 P23219 1/20 0.51
GSTK1 Q9Y2Q3 1/20 0.51
LAP3 P28838 3/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
SLC7A5 Q01650 1/20 0.50
GLO1 Q04760 1/20 0.48
MAPT P10636 1/20 0.47

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
SCHEMBL13585300 1.00 NOD1 (0.58) NOD1ALDH1A1FOLH1PTGS1GSTK1
SCHEMBL234160 1.00 NOD1 (0.58) NOD1ALDH1A1FOLH1PTGS1GSTK1
SCHEMBL13585297 1.00 NOD1 (0.58) NOD1ALDH1A1FOLH1PTGS1GSTK1
SCHEMBL234161 1.00 NOD1 (0.58) NOD1ALDH1A1FOLH1PTGS1GSTK1
Glutamic Acid SCHEMBL4393021 0.95 FOLH1 (0.60) NOD1ALDH1A1FOLH1PTGS1GSTK1
D-Glutamate SCHEMBL4393018 0.95 FOLH1 (0.60) NOD1ALDH1A1FOLH1PTGS1GSTK1
Glutamine SCHEMBL4395724 0.94 KMT2A (0.56) NOD1ALDH1A1FOLH1PTGS1GSTK1
Glutamine SCHEMBL4395718 0.94 KMT2A (0.56) NOD1ALDH1A1FOLH1PTGS1GSTK1
Aspartic Acid SCHEMBL4390861 0.93 NOD1 (0.52) NOD1ALDH1A1FOLH1PTGS1GSTK1
Aspartic Acid SCHEMBL4390865 0.93 NOD1 (0.52) NOD1ALDH1A1FOLH1PTGS1GSTK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114373510-B Metabolic marker for diagnosing or monitoring lung cancer and screening method and application thereof 武汉迈特维尔医学科技有限公司 2023-12-01 CN claimed
CN-114373510-A Metabolic marker for lung cancer diagnosis or monitoring and screening method and application thereof 武汉迈特维尔生物科技有限公司 2022-04-19 CN claimed
US-5126245-A REAGENTS FOR ASSAY OF GAMMA-GLUTAMYLTRANSPEPTIDASE UNITIKA LTD. (JP) 1992-06-30 US claimed
EP-0266905-A1 Reagents for assay of gamma-glutamyl-transpeptidase UNITIKA LTD. (JP) 1988-05-11 EP claimed
JP-63094998-A None JP disclosed
CN-114373510-B Metabolic marker for diagnosing or monitoring lung cancer and screening method and application thereof 武汉迈特维尔医学科技有限公司 2023-12-01 CN disclosed
CN-114373510-A Metabolic marker for lung cancer diagnosis or monitoring and screening method and application thereof 武汉迈特维尔生物科技有限公司 2022-04-19 CN disclosed
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
US-5126245-A REAGENTS FOR ASSAY OF GAMMA-GLUTAMYLTRANSPEPTIDASE UNITIKA LTD. (JP) 1992-06-30 US disclosed
EP-0266905-B1 REAGENTS FOR ASSAY OF GAMMA-GLUTAMYL-TRANSPEPTIDASE UNITIKA LTD. (JP) 1992-04-15 EP disclosed
EP-0266905-A1 Reagents for assay of gamma-glutamyl-transpeptidase UNITIKA LTD. (JP) 1988-05-11 EP disclosed
JP-S6394998-A REAGENT FOR DETERMINING GAMMA-GLUTAMYL TRANSPEPTIDASE UNITIKA LTD 1988-04-26 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 (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-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 NOD1 1020/4885ALDH1A1 3484/4885FOLH1 217/4885

“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.