SCHEMBL12371570

SCHEMBL12371570

C=CCO[C@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](OCC[C@@H](CCCCCCC)OC)[C@H]1NC(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 2/20 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
SCHEMBL7141048 0.94 TLR4 (0.32) TLR4
SCHEMBL12600388 0.90 MAPK1 (0.33) —
SCHEMBL12371582 0.90 MAPK1 (0.33) —
SCHEMBL12371580 0.90 MAPK1 (0.33) —
SCHEMBL7136453 0.88 L3MBTL1 (0.31) —
SCHEMBL4191936 0.84 YWHAZ (0.32) TLR4
SCHEMBL10042138 0.83 L3MBTL1 (0.30) —
SCHEMBL7144650 0.81 TLR4 (0.31) TLR4
SCHEMBL12560742 0.81 MAPK1 (0.42) —
SCHEMBL12371571 0.80 TLR4 (0.43) 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 4 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-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 (2 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

“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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