SCHEMBL828728

SCHEMBL828728

O=C(CNC(=O)c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.65
GPR139 Q6DWJ6 1/20 0.57
PTPN1 P18031 2/20 0.57
CA2 P00918 2/20 0.54
CA1 P00915 1/20 0.54
GPR132 Q9UNW8 1/20 0.54
ECE1 P42892 1/20 0.53
MME P08473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CTSL P07711 2/20 0.52
SLC6A9 P48067 1/20 0.52
SLC6A5 Q9Y345 1/20 0.52
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL5679006 1.00 ACE (0.65) ACEGPR139PTPN1CA2CA1
SCHEMBL9829353 0.92 ACE (0.56) ACEPTPN1CA2CA1GPR132
SCHEMBL9829356 0.92 ACE (0.56) ACEPTPN1CA2CA1GPR132
SCHEMBL11023523 0.92 ACE (0.56) ACEGPR139PTPN1CA2CA1
SCHEMBL29511639 0.91 SLC6A9 (0.63) ACEGPR139PTPN1CA2SLC6A9
SCHEMBL11022457 0.87 FPR2 (0.60) ACEGPR139PTPN1CA2SLC6A9
SCHEMBL11022464 0.87 PTPN1 (0.62) ACEGPR139PTPN1CA2SLC6A9
SCHEMBL10950139 0.86 CA1 (0.60) ACEPTPN1CA2CA1MME
SCHEMBL9829021 0.85 OPRM1 (0.62) MMECTSL
SCHEMBL9829089 0.85 OPRM1 (0.62) MMECTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180008621-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-01-11 US claimed
US-20180008622-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-01-11 US claimed
US-20110144065-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH U.S. DEPARTMENT OF ENERGY 2011-06-16 US claimed
CN-102083850-A Selective high-affinity polydentate ligands and methods for making same UNIV CALIFORNIA 2011-06-01 CN claimed
EP-2268654-A2 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH The Regents of the University of California (US) 2011-01-05 EP claimed
WO-2009132020-A2 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-10-29 WO claimed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP claimed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US claimed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP claimed
EP-0083857-B1 DERIVATIVES OF HIPPURYL-L-PHENYLALANINE AND THEIR USE IN DETERMINING THE ACTIVITY OF CARBOXYPEPTIDASE A FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1985-06-05 EP claimed
US-4432896-A Derivatives of hippuryl-L-phenylalanine FUJIREBIO KABUSHIKI KAISHA (JP) 1984-02-21 US claimed
EP-0083857-A1 Derivatives of hippuryl-L-phenylalanine and their use in determining the activity of carboxypeptidase A FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1983-07-20 EP claimed
US-20230042729-A1 PEPTIDE CONSTRUCTS AND COMPOSITIONS DIET4LIFE APS (DK) 2023-02-09 US disclosed
US-11285165-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2022-03-29 US disclosed
US-20210106677-A1 VACCINE DEVELOPMENT METHODOLOGY BASED ON AN ADHESION MOLECULE MATSFIDE, INC. (US) 2021-04-15 US disclosed
US-20210000843-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2021-01-07 US disclosed
US-4432896-A Derivatives of hippuryl-L-phenylalanine FUJIREBIO KABUSHIKI KAISHA (JP) 1984-02-21 US disclosed
EP-0083857-A1 Derivatives of hippuryl-L-phenylalanine and their use in determining the activity of carboxypeptidase A FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1983-07-20 EP disclosed
EP-0083857-A1 Derivatives of hippuryl-L-phenylalanine and their use in determining the activity of carboxypeptidase A FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1983-07-20 EP disclosed
EP-0083857-A1 Derivatives of hippuryl-L-phenylalanine and their use in determining the activity of carboxypeptidase A FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1983-07-20 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 (5 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-11285165-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A ACE 4417/4885GPR139 3309/4885PTPN1 1873/4885
US-20110144065-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A ACE 4417/4885GPR139 3309/4885PTPN1 1873/4885
US-20180008621-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A ACE 4417/4885GPR139 3309/4885PTPN1 1873/4885
US-20180008622-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A ACE 4417/4885GPR139 3309/4885PTPN1 1873/4885
US-20210000843-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A ACE 4417/4885GPR139 3309/4885PTPN1 1873/4885

“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.