Muramyldipeptide

Muramyldipeptide

SCHEMBL19486934

CC(=O)NC1C(O[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(N)=O)[C@H](O)C(CO)O[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 1.00
ESR1 P03372 2/20 0.68
PGR P06401 2/20 0.68
HTR1A P08908 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
AR P10275 1/20 0.68
CHRM1 P11229 1/20 0.68
TBXA2R P21731 1/20 0.68
PTGS1 P23219 1/20 0.68
ADRA1A P35348 1/20 0.68
KCNH2 Q12809 1/20 0.68
MAPK1 P28482 1/20 0.60
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
LGALS3 P17931 1/20 0.35
SELP P16109 5/20 0.34
SELL P14151 3/20 0.34
SELE P16581 3/20 0.34
ANPEP P15144 2/20 0.33
PTPN1 P18031 1/20 0.33

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
Muramyldipeptide SCHEMBL20516503 1.00 NOD2 (1.00) NOD2ESR1PGRHTR1AADORA3
Muramyl Dipeptide SCHEMBL9770111 1.00 NOD2 (1.00) NOD2ESR1PGRHTR1AADORA3
Muramyldipeptide SCHEMBL15263102 1.00 NOD2 (1.00) NOD2ESR1PGRHTR1AADORA3
Muramyl Dipeptide SCHEMBL41813 1.00 NOD2 (1.00) NOD2ESR1PGRHTR1AADORA3
Muramyldipeptide SCHEMBL20516502 1.00 NOD2 (1.00) NOD2ESR1PGRHTR1AADORA3
Muramyldipeptide SCHEMBL9231355 1.00 NOD2 (1.00) NOD2ESR1PGRHTR1AADORA3
Muramyldipeptide SCHEMBL17299289 1.00 NOD2 (1.00) NOD2ESR1PGRHTR1AADORA3
Muramyldipeptide SCHEMBL41814 1.00 NOD2 (1.00) NOD2ESR1PGRHTR1AADORA3
Muramyl Dipeptide SCHEMBL769016 0.99 NOD2 (0.98) NOD2ESR1PGRHTR1AADORA3
SCHEMBL16802190 0.94 NOD2 (0.88) NOD2ESR1PGRHTR1AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170296621-A1 NOD2-DEPENDENT PATHWAY OF CYTOPROTECTION OF STEM CELLS PASTEUR INSTITUT (FR) 2017-10-19 US 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-20170296621-A1 NOD2-DEPENDENT PATHWAY OF CYTOPROTECTION OF STEM CELLS NOD2, MAVS, MYD88 NOD2 1/4885ESR1 4031/4885PGR 4594/4885

“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.