SCHEMBL10070897

SCHEMBL10070897

C=CCOP(=O)(OCC=C)O[C@@H]1C(COC)OC(O)[C@H](NC(=O)CCCCCCCCC/C=C\CCCCCC)C1OCCC(CCCCCCC)OC

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 15/20 0.62
▸ ENPP2 Q13822 2/20 0.35
▸ LY96 Q9Y6Y9 4/20 0.35
▸ LPAR1 Q92633 1/20 0.35
▸ LPAR2 Q9HBW0 1/20 0.35

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
SCHEMBL13791956 1.00 TLR4 (0.62) TLR4ENPP2LY96LPAR1LPAR2
SCHEMBL13803964 1.00 TLR4 (0.62) TLR4ENPP2LY96LPAR1LPAR2
SCHEMBL13791323 1.00 TLR4 (0.62) TLR4ENPP2LY96LPAR1LPAR2
SCHEMBL12601328 1.00 TLR4 (0.62) TLR4ENPP2LY96LPAR1LPAR2
SCHEMBL14136540 1.00 TLR4 (0.62) TLR4ENPP2LY96LPAR1LPAR2
SCHEMBL10042153 1.00 TLR4 (0.62) TLR4ENPP2LY96LPAR1LPAR2
SCHEMBL12600464 1.00 TLR4 (0.62) TLR4ENPP2LY96LPAR1LPAR2
SCHEMBL13792001 0.93 TLR4 (0.54) TLR4ENPP2
SCHEMBL12763043 0.93 TLR4 (0.54) TLR4ENPP2
SCHEMBL13325121 0.92 TLR4 (0.65) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090149647-A1 PROCESS FOR PRODUCTION OF LIPID A ANALOGUE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-11 — — US disclosed
US-20080227991-A1 Sodium salt of disaccharide compound, production method and use of same EISAI R&D MANAGEMENT CO., LTD. 2008-09-18 — — US disclosed
EP-1939209-A1 PROCESS FOR PRODUCTION OF LIPID A ANALOGUE Eisai R&D Management Co., Ltd. (JP) 2008-07-02 — — EP 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 (4 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 2691/4885ENPP2 1252/4885LY96 3397/4885
US-20080227991-A1 Sodium salt of disaccharide compound, production method and use of same MAN2A1, MAN2B2, MAN2B1 TLR4 557/4885ENPP2 2384/4885LY96 4701/4885
US-20100152429-A1 SODIUM SALT OF DISACCHARIDE COMPOUND, METHOD FOR PRODUCING THE SAME, AND USE OF THE SAME MAN2B2, MAN2A1, MAN2B1 TLR4 1500/4885ENPP2 1381/4885LY96 4612/4885
US-20110152508-A1 REAGENTS AND METHODS FOR PREPARING LPS ANTAGONIST B1287 AND STEREOISOMERS THEREOF LTB4R2, LTB4R, LITAF TLR4 24/4885ENPP2 33/4885LY96 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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