SCHEMBL12371571

SCHEMBL12371571

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

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 15/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ SLC2A1 P11166 1/20 0.33

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
SCHEMBL12371574 0.93 TLR4 (0.51) TLR4MAPK1
SCHEMBL12371581 0.89 MAPK1 (0.53) TLR4MAPK1SLC2A1
SCHEMBL12762999 0.89 MAPK1 (0.53) TLR4MAPK1SLC2A1
SCHEMBL12371572 0.84 TLR4 (0.41) TLR4MAPK1
SCHEMBL12371570 0.80 TLR4 (0.34) TLR4
SCHEMBL7136459 0.79 MAPK1 (0.41) TLR4MAPK1
SCHEMBL7136462 0.79 MAPK1 (0.41) TLR4MAPK1
SCHEMBL12560771 0.78 MAPK1 (0.68) MAPK1SLC2A1
SCHEMBL12601163 0.77 MAPK1 (0.52) TLR4MAPK1SLC2A1
SCHEMBL23705095 0.75 MAPK1 (0.45) MAPK1

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 94/4885MAPK1 3870/4885SLC2A1 901/4885
US-20100227835-A1 SUBSTITUTED LIPOSACCHARIDES USEFUL IN THE TREATMENT AND PREVENTION OF ENDOTOXEMIA LIPG, FUT6, UGCG TLR4 94/4885MAPK1 3870/4885SLC2A1 901/4885

“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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