SCHEMBL12371592

SCHEMBL12371592

C=CCOP(=O)(OCC=C)O[C@H]1[C@H](OCC[C@@H](CCCCCCC)OC)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)C(OC(=N)C(Cl)(Cl)Cl)O[C@@H]1COC

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 12/20 0.45

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
SCHEMBL14071676 0.92 TLR4 (0.37) TLR4
SCHEMBL12371577 0.90 TLR4 (0.45) TLR4
SCHEMBL12371579 0.90 TLR4 (0.44) TLR4
SCHEMBL12601159 0.88 TLR4 (0.59) TLR4
SCHEMBL10071017 0.88 TLR4 (0.59) TLR4
SCHEMBL10042154 0.88 TLR4 (0.59) TLR4
SCHEMBL12600777 0.88 TLR4 (0.59) TLR4
SCHEMBL13791997 0.88 TLR4 (0.59) TLR4
SCHEMBL13302940 0.88 TLR4 (0.59) TLR4
SCHEMBL10042143 0.88 TLR4 (0.59) TLR4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994154-B2 Substituted liposaccharides useful in the treatment and prevention of endotoxemia Ersai R&D Management Co., Ltd. (JP) 2011-08-09 — — US disclosed
US-20100227835-A1 SUBSTITUTED LIPOSACCHARIDES USEFUL IN THE TREATMENT AND PREVENTION OF ENDOTOXEMIA EISAI R&D MANAGEMENT CO., LTD (JP) 2010-09-09 — — 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-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 (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-20080214802-A1 Substituted Liposaccharides Useful in the Treatment and Prevention of Endotoxemia LIPG, FUT6, UGCG TLR4 94/4885
US-20100227835-A1 SUBSTITUTED LIPOSACCHARIDES USEFUL IN THE TREATMENT AND PREVENTION OF ENDOTOXEMIA LIPG, FUT6, UGCG TLR4 94/4885
US-20100152429-A1 SODIUM SALT OF DISACCHARIDE COMPOUND, METHOD FOR PRODUCING THE SAME, AND USE OF THE SAME MAN2B2, MAN2A1, MAN2B1 TLR4 1500/4885

“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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