SCHEMBL10042145

SCHEMBL10042145

C=CCOC(=O)O[C@H]1[C@H](OCCCCCCCCCC)[C@@H](NC(=O)CC(=O)CCCCCCCCCCC)[C@@H](O/C=C\C)O[C@@H]1CO[C@@H]1O[C@H](COC)[C@@H](OP(=O)(OCC=C)OCC=C)[C@H](OCC[C@@H](CCCCCCC)OC)[C@H]1NC(=O)CCCCCCCCC/C=C\CCCCCC

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 19/20 0.67
▸ LY96 Q9Y6Y9 4/20 0.32

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
SCHEMBL13325116 1.00 TLR4 (0.67) TLR4LY96
SCHEMBL13791345 1.00 TLR4 (0.67) TLR4LY96
SCHEMBL12762909 1.00 TLR4 (0.67) TLR4LY96
SCHEMBL13324193 1.00 TLR4 (0.67) TLR4LY96
SCHEMBL14071686 1.00 TLR4 (0.67) TLR4LY96
SCHEMBL13302912 1.00 TLR4 (0.67) TLR4LY96
SCHEMBL10071015 1.00 TLR4 (0.67) TLR4LY96
SCHEMBL10042139 1.00 TLR4 (0.67) TLR4LY96
SCHEMBL13804057 1.00 TLR4 (0.67) TLR4LY96
SCHEMBL13791998 0.96 TLR4 (0.62) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399634-B2 Reagents and methods for preparing LPS antagonist B1287 and stereoisomers thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 — — US disclosed
US-8207144-B2 Improves the stability over time of a corresponding tetrasodium salt useful as a preventive or therapeutic for septicemia, endotoxemia or improving prognosis following coronary artery bypass surgery EISAI R & D MANAGEMENT CO., LTD. (JP) 2012-06-26 — — US disclosed
US-8207144-B2 Improves the stability over time of a corresponding tetrasodium salt useful as a preventive or therapeutic for septicemia, endotoxemia or improving prognosis following coronary artery bypass surgery EISAI R & D MANAGEMENT CO., LTD. (JP) 2012-06-26 — — US disclosed
US-20110152508-A1 REAGENTS AND METHODS FOR PREPARING LPS ANTAGONIST B1287 AND STEREOISOMERS THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-23 — — US disclosed
US-7906633-B2 Reagents and methods for preparing LPS antagonist B1287 and stereoisomers thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-15 — — US disclosed
US-20100152429-A1 SODIUM SALT OF DISACCHARIDE COMPOUND, METHOD FOR PRODUCING THE SAME, AND USE OF THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-06-17 — — US disclosed
US-20100152429-A1 SODIUM SALT OF DISACCHARIDE COMPOUND, METHOD FOR PRODUCING THE SAME, AND USE OF THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-06-17 — — US disclosed
US-20090149647-A1 PROCESS FOR PRODUCTION OF LIPID A ANALOGUE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-11 — — 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 (3 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-20090149647-A1 PROCESS FOR PRODUCTION OF LIPID A ANALOGUE DDOST, PHOSPHO1, DCPS TLR4 2691/4885LY96 3397/4885
US-20100152429-A1 SODIUM SALT OF DISACCHARIDE COMPOUND, METHOD FOR PRODUCING THE SAME, AND USE OF THE SAME MAN2B2, MAN2A1, MAN2B1 TLR4 1500/4885LY96 4612/4885
US-20110152508-A1 REAGENTS AND METHODS FOR PREPARING LPS ANTAGONIST B1287 AND STEREOISOMERS THEREOF LTB4R2, LTB4R, LITAF TLR4 24/4885LY96 28/4885

“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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