SCHEMBL2030163

SCHEMBL2030163

N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.47
TPSAB1 Q15661 2/20 0.45
TPSD1 Q9BZJ3 2/20 0.45
TPSG1 Q9NRR2 2/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A1 P43005 1/20 0.44
HTT P42858 1/20 0.42
CCR6 P51684 1/20 0.41
PAX8 Q06710 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
TGM2 P21980 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2030161 1.00 FOLH1 (0.47) FOLH1TPSAB1TPSD1TPSG1SLC1A3
SCHEMBL29266083 0.95 FOLH1 (0.46) FOLH1TPSAB1TPSD1TPSG1SLC1A3
SCHEMBL5981757 0.92 TPSAB1 (0.55) FOLH1TPSAB1TPSD1TPSG1SLC1A3
SCHEMBL3623326 0.90 FOLH1 (0.51) FOLH1SLC1A3SLC1A1HTTCCR6
SCHEMBL7762891 0.89 FOLH1 (0.42) FOLH1TPSAB1TPSD1TPSG1SLC1A3
SCHEMBL30350537 0.89 FOLH1 (0.56) FOLH1TPSAB1TPSD1TPSG1SLC1A3
SCHEMBL29517152 0.87 FOLH1 (0.42) FOLH1TPSAB1TPSD1TPSG1SLC1A3
SCHEMBL7767627 0.85 FOLH1 (0.43) FOLH1TPSAB1TPSD1TPSG1SLC1A3
SCHEMBL7353231 0.84 HTT (0.41) FOLH1SLC1A3SLC1A1HTTCCR6
SCHEMBL27892485 0.83 NPY4R (0.42) FOLH1SLC1A3SLC1A1HTTSIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662785-B2 Selective high affinity polydentate ligands and methods of making such THE REGENTS OF CALIFORNIA (US) 2010-02-16 US claimed
EP-1088020-B1 FUNCTIONALISED POLYMERS OF ALPHA-AMINO ACIDS AND THE METHOD OF PREPARATION THEREOF USTAV MAKROMOLEKULARNI CHEMIE (CZ) 2002-12-18 EP claimed
WO-2002024192-A1 DIPEPTIDE LIGANDS OF THE NPFF RECEPTOR FOR TREATING PAIN AND HYPERALGESIA INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2002-03-28 WO claimed
US-11471868-B2 Redox dehydration coupling catalysts and methods related thereto EMORY UNIVERSITY (US) 2022-10-18 US disclosed
US-20210106677-A1 VACCINE DEVELOPMENT METHODOLOGY BASED ON AN ADHESION MOLECULE MATSFIDE, INC. (US) 2021-04-15 US disclosed
US-10874678-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2020-12-29 US disclosed
US-10646502-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY (US) 2020-05-12 US disclosed
US-20190262364-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2019-08-29 US disclosed
US-10292992-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2019-05-21 US disclosed
US-10202337-B2 Method for producing tri-carbobenzoxy-arginine KANEKA CORPORATION (JP) 2019-02-12 US disclosed
US-9884070-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-02-06 US disclosed
WO-2002024192-A1 DIPEPTIDE LIGANDS OF THE NPFF RECEPTOR FOR TREATING PAIN AND HYPERALGESIA INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2002-03-28 WO disclosed
EP-1101492-A1 NOVEL REMEDIES FOR ALLERGIC DISEASES FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2001-05-23 EP disclosed
EP-1088020-A1 FUNCTIONALISED POLYMERS OF ALPHA-AMINO ACIDS AND THE METHOD OF PREPARATION THEREOF USTAV MAKROMOLEKULARNI CHEMIE AKADEMIE VED CESKE REPUBLIKY (CZ) 2001-04-04 EP disclosed
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP disclosed
WO-1999064495-A1 FUNCTIONALISED POLYMERS OF α-AMINO ACIDS AND THE METHOD OF PREPARATION THEREOF ÚSTAV MAKROMOLEKULÁRNÍ CHEMIE AKADEMIE VĚD ČESKÉ REPUBLIKY (CZ) 1999-12-16 WO disclosed
EP-0118280-B1 ENZYME INHIBITION Aktiebolaget Hässle (SE) 1989-07-12 EP disclosed
US-4720484-A Peptide compounds having a nitrogenous polycyclic structure ADIR S.A.R.L. (FR) 1988-01-19 US disclosed
EP-0190058-B1 PEPTIDE DERIVATIVES WITH A POLYCYCLIC NITROGEN STRUCTURE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR (FR) 1987-12-23 EP disclosed
EP-0190058-A1 Peptide derivatives with a polycyclic nitrogen structure, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1986-08-06 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 (6 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-10202337-B2 Method for producing tri-carbobenzoxy-arginine ARG1, ARGLU1, PRMT1 FOLH1 2725/4885TPSAB1 1017/4885TPSD1 1988/4885
US-10646502-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A FOLH1 952/4885TPSAB1 4368/4885TPSD1 4532/4885
US-20190262364-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A FOLH1 952/4885TPSAB1 4368/4885TPSD1 4532/4885
US-10874678-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A FOLH1 952/4885TPSAB1 4368/4885TPSD1 4532/4885
US-10292992-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A FOLH1 952/4885TPSAB1 4368/4885TPSD1 4532/4885
US-11471868-B2 Redox dehydration coupling catalysts and methods related thereto SCLY, TST, SQOR FOLH1 2881/4885TPSAB1 3594/4885TPSD1 2640/4885

“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.