SCHEMBL22431363

SCHEMBL22431363

CCCCCCCCCC(=O)NC1C(C)OC(CO)C(O)C1O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ TLR4 O00206 8/20 0.47
▸ LY96 Q9Y6Y9 6/20 0.46
▸ TRPV1 Q8NER1 4/20 0.46
▸ CNR1 P21554 2/20 0.46
▸ CNR2 P34972 2/20 0.46
▸ GAA P10253 1/20 0.43

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
SCHEMBL22431121 1.00 PYGB (0.51) PYGBMAPK1TLR4LY96TRPV1
SCHEMBL22431203 0.90 PYGB (0.46) PYGBMAPK1TLR4LY96GAA
SCHEMBL21137865 0.89 PYGB (0.64) PYGBMAPK1GAA
SCHEMBL18391212 0.89 PYGB (0.64) PYGBMAPK1GAA
SCHEMBL22431287 0.88 PYGB (0.44) PYGBMAPK1TLR4LY96GAA
SCHEMBL13321928 0.88 PYGB (0.52) PYGBMAPK1TLR4LY96TRPV1
SCHEMBL15504507 0.88 PYGB (0.52) PYGBMAPK1TLR4LY96TRPV1
SCHEMBL806360 0.88 PYGB (0.52) PYGBMAPK1TLR4LY96TRPV1
SCHEMBL10602999 0.88 PYGB (0.52) PYGBMAPK1TLR4LY96TRPV1
SCHEMBL31472776 0.88 PYGB (0.52) PYGBMAPK1TLR4LY96TRPV1

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-20200291071-A1 GLYCOPEPTIDE COMPOUNDS, METHODS FOR PRODUCING THE SAME, AND USES THEREOF ACADEMIA SINICA (TW) 2020-09-17 — — 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-20200291071-A1 GLYCOPEPTIDE COMPOUNDS, METHODS FOR PRODUCING THE SAME, AND USES THEREOF B3GAT3, MGAM, GALNT14 PYGB 529/4885MAPK1 3577/4885TLR4 753/4885

“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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