SCHEMBL16495147

SCHEMBL16495147

NCCCC[C@H](N)C(=O)N[C@@H](CC(Cc1ccccc1)C(=O)O)C(=O)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 6/20 0.56
ITGB3 P05106 4/20 0.48
ITGA2B P08514 4/20 0.48
MMP2 P08253 1/20 0.48
LTA4H P09960 1/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A1 P43005 1/20 0.47
CTSL P07711 1/20 0.46
MME P08473 5/20 0.46
CPB1 P15086 1/20 0.45
CPB2 Q96IY4 1/20 0.45

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
SCHEMBL9195814 0.83 LTA4H (0.60) ECE1ITGB3ITGA2BMMP2LTA4H
SCHEMBL9195808 0.83 LTA4H (0.60) ECE1ITGB3ITGA2BMMP2LTA4H
SCHEMBL16653313 0.82 SLC1A3 (0.56) ECE1MMP2SLC1A3SLC1A1CTSL
SCHEMBL10459445 0.81 MMP2 (0.58) ECE1ITGB3ITGA2BMMP2LTA4H
SCHEMBL10459444 0.81 MMP2 (0.58) ECE1ITGB3ITGA2BMMP2LTA4H
SCHEMBL9202741 0.80 LTA4H (0.55) ECE1ITGB3ITGA2BMMP2LTA4H
SCHEMBL9202736 0.80 LTA4H (0.55) ECE1ITGB3ITGA2BMMP2LTA4H
SCHEMBL2289331 0.79 LTA4H (0.58) ECE1MMP2LTA4HCTSLCPB1
SCHEMBL2411412 0.79 LTA4H (0.58) ECE1MMP2LTA4HCTSLCPB1
SCHEMBL1509765 0.78 CPB1 (0.70) ECE1MMP2CPB1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2397488-B1 DIPEPTIDE MIMETICS OF NGF AND BDNF NEUROTROPHINS FEDERAL STATE BUDGETARY INSTITUTION RES ZAKUSOV INSTITUTE OF PHARMACOLOGY (RU) 2019-03-27 EP disclosed
US-9683014-B2 Dipeptide mimetics of NGF and BDNF neurotrophins UCHREZHDENIE ROSSIISKOI AKADEMII MEDITSYNSKIKH NAUK NAUCHNO-ISSLEDOVATELSKY INSTITUT FARMAKOLOGII IMENI V.V.ZAKUSOVA RAMN (RU) 2017-06-20 US disclosed
US-20150111828-A1 DIPEPTIDE MIMETICS OF NGF AND BDNF NEUROTROPHINS UCHREZHDENIE ROSSIISKOI AKADEMII MEDITSYNSKIKH NAUK NAUCHNO-ISSLEDOVATELSKY INSTITUT FARMAKOLOGII (RU) 2015-04-23 US disclosed
US-20110312895-A1 DIPEPTIDE MIMETICS OF NGF AND BDNF NEUROTROPHINS UCHREZHDENIE ROSSIISKOI AKADEMII MEDITSYNSKIKH NAUK NAUCHNO-ISSLEDOVATELSKY INSTITUT FARMAKOLOGII IMENI V.V.ZAKUSOVA RAMN (RU) 2011-12-22 US disclosed
EP-2397488-A1 DIPEPTIDE MIMETICS OF NGF AND BDNF NEUROTROPHINS Uchrezhdenie Rossiiskoi Akademii Meditsynskikh Nauk Nauchno-issledovatelsky Institut Farmakologii Imeni V.V.Zakusova Ramn (RU) 2011-12-21 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 (2 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-20150111828-A1 DIPEPTIDE MIMETICS OF NGF AND BDNF NEUROTROPHINS BDNF, NTRK2, NGF ECE1 3317/4885ITGB3 2685/4885ITGA2B 3194/4885
US-20110312895-A1 DIPEPTIDE MIMETICS OF NGF AND BDNF NEUROTROPHINS BDNF, NTRK2, NGF ECE1 3317/4885ITGB3 2685/4885ITGA2B 3194/4885

“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.