Sugi Predict

Sugi Predict / Compounds / SCHEMBL13296560

SCHEMBL13296560

SCHEMBL13296560

CCCCCCCCCCCC(=O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)CC(=O)CCCCCCCCCCC)[C@@H](OCC[C@H](O)CCCCCCC)[C@@H]2O)O[C@H](COC)[C@@H](OP(=O)(O)O)[C@@H]1OCC[C@@H](CCCCCCC)OC(=O)CCC/C=C\C(C)CCCC

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 17/20 0.71
▸ LY96 Q9Y6Y9 1/20 0.39
▸ NR5A2 O00482 1/20 0.34
▸ NR5A1 Q13285 1/20 0.34

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
SCHEMBL12762825 1.00 TLR4 (0.71) TLR4LY96NR5A2NR5A1
SCHEMBL610334 0.94 TLR4 (0.79) TLR4LY96NR5A2NR5A1
SCHEMBL6152143 0.88 TLR4 (0.80) TLR4LY96
SCHEMBL12560458 0.87 TLR4 (0.67) TLR4LY96NR5A2NR5A1
SCHEMBL13488524 0.86 TLR4 (0.87) TLR4LY96
SCHEMBL13488526 0.85 TLR4 (0.80) TLR4LY96
Eritoran SCHEMBL10042160 0.83 TLR4 (1.00) TLR4LY96
Eritoran SCHEMBL10042165 0.83 TLR4 (1.00) TLR4LY96
Eritoran SCHEMBL21378839 0.83 TLR4 (1.00) TLR4LY96
Eritoran SCHEMBL14081112 0.83 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737129-B2 Substituted liposaccharides useful in the treatment and prevention of endotoxemia EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-06-15 — — US disclosed
US-20080214802-A1 Substituted Liposaccharides Useful in the Treatment and Prevention of Endotoxemia EISAI CO., LTD. (JP) 2008-09-04 — — 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-20080214802-A1 Substituted Liposaccharides Useful in the Treatment and Prevention of Endotoxemia LIPG, FUT6, UGCG TLR4 94/4885LY96 382/4885NR5A2 4679/4885

“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.