SCHEMBL12762999

SCHEMBL12762999

C=CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](OCCCCCCCCCC)[C@H]1NC(=O)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.53
▸ SLC2A1 P11166 1/20 0.43
▸ LGALS8 O00214 1/20 0.40
▸ LGALS3 P17931 1/20 0.40
▸ LGALS4 P56470 1/20 0.40
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ GBA1 P04062 3/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ TLR4 O00206 4/20 0.35
▸ GJB2 P29033 1/20 0.35
▸ LY96 Q9Y6Y9 3/20 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
SCHEMBL12371581 1.00 MAPK1 (0.53) MAPK1SLC2A1LGALS8LGALS3LGALS4
SCHEMBL12371571 0.89 TLR4 (0.43) MAPK1SLC2A1TLR4
SCHEMBL12560771 0.88 MAPK1 (0.68) MAPK1SLC2A1LGALS8LGALS3LGALS4
SCHEMBL12601163 0.87 MAPK1 (0.52) MAPK1SLC2A1LGALS8LGALS3LGALS4
SCHEMBL4204252 0.84 MAPK1 (0.52) MAPK1SLC2A1LGALS8LGALS3LGALS4
SCHEMBL4204256 0.84 MAPK1 (0.52) MAPK1SLC2A1LGALS8LGALS3LGALS4
SCHEMBL23705095 0.81 MAPK1 (0.45) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL8578436 0.81 MAPK1 (0.45) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL8578442 0.81 MAPK1 (0.45) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL12371569 0.81 MAPK1 (0.45) MAPK1LGALS8LGALS3LGALS4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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 MAPK1 3870/4885SLC2A1 901/4885LGALS8 247/4885

“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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