SCHEMBL4201817

SCHEMBL4201817

CCCCCCCCCCCCCCCCC=CO[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@@H](NC(=O)CC(=O)CCCCCCCCCCC)[C@@H](OCCCCCCCCCC)[C@@H]2OP(=O)(O)O)O[C@H](CO)[C@@H](OP(=O)(O)O)[C@@H]1OCC[C@H](CCCCCCC)OC

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 19/20 0.74
▸ LY96 Q9Y6Y9 4/20 0.47

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
SCHEMBL4201811 0.96 TLR4 (0.77) TLR4LY96
SCHEMBL4198567 0.95 TLR4 (0.79) TLR4LY96
SCHEMBL4198776 0.92 TLR4 (0.75) TLR4LY96
SCHEMBL4198564 0.91 TLR4 (0.83) TLR4LY96
SCHEMBL4205836 0.90 TLR4 (0.87) TLR4LY96
SCHEMBL4198773 0.88 TLR4 (0.78) TLR4LY96
SCHEMBL4195674 0.88 TLR4 (0.82) TLR4LY96
SCHEMBL4194044 0.87 TLR4 (0.69) TLR4LY96
SCHEMBL4205833 0.87 TLR4 (0.92) TLR4LY96
Eritoran SCHEMBL10071635 0.85 TLR4 (1.00) TLR4LY96

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-20090062214-A1 Left-Side Glucose Lipid a Analogue SANKYO COMPANY, LTD. (JP) 2009-03-05 — — US claimed

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-20090062214-A1 Left-Side Glucose Lipid a Analogue SLC2A3, GPR119, SLC2A2 TLR4 294/4885LY96 902/4885

“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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