SCHEMBL31268508

SCHEMBL31268508

C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(=O)Oc1ccccc1)C(=O)N[C@H](CCC(=O)O)C(N)=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 1/20 0.76
▸ ESR1 P03372 2/20 0.54
▸ PGR P06401 2/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ AR P10275 1/20 0.54
▸ CHRM1 P11229 1/20 0.54
▸ TBXA2R P21731 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ MAPK1 P28482 1/20 0.44
▸ LGALS8 O00214 1/20 0.36
▸ HK1 P19367 2/20 0.35
▸ HK2 P52789 2/20 0.35
▸ ERAP2 Q6P179 1/20 0.34
▸ ERAP1 Q9NZ08 1/20 0.34
▸ LNPEP Q9UIQ6 1/20 0.34
▸ APC P25054 1/20 0.33
▸ PRSS1 P07477 2/20 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
SCHEMBL10832201 0.89 NOD2 (0.78) NOD2ESR1PGRHTR1AADORA3
SCHEMBL20591178 0.87 NOD2 (0.81) NOD2ESR1PGRHTR1AADORA3
SCHEMBL18974111 0.87 NOD2 (0.81) NOD2ESR1PGRHTR1AADORA3
SCHEMBL18974245 0.87 NOD2 (0.81) NOD2ESR1PGRHTR1AADORA3
SCHEMBL18953149 0.87 NOD2 (0.81) NOD2ESR1PGRHTR1AADORA3
Muramyldipeptide SCHEMBL9231355 0.86 NOD2 (1.00) NOD2ESR1PGRHTR1AADORA3
Muramyldipeptide SCHEMBL20516503 0.86 NOD2 (1.00) NOD2ESR1PGRHTR1AADORA3
Muramyldipeptide SCHEMBL17299289 0.86 NOD2 (1.00) NOD2ESR1PGRHTR1AADORA3
Muramyldipeptide SCHEMBL20516502 0.86 NOD2 (1.00) NOD2ESR1PGRHTR1AADORA3
Muramyldipeptide SCHEMBL19486934 0.86 NOD2 (1.00) 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-12134664-B2 Muramyl peptide derivatives BHARAT BIOTECH INTERNATIONAL LTD. (IN) 2024-11-05 — — 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-12134664-B2 Muramyl peptide derivatives NOD2, NGLY1, LNPEP NOD2 1/4885ESR1 4859/4885PGR 3888/4885

“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.

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