SCHEMBL12371569

SCHEMBL12371569

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ CA2 P00918 4/20 0.40
▸ CA9 Q16790 4/20 0.40
▸ CA1 P00915 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HK2 P52789 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LGALS8 O00214 1/20 0.36
▸ LGALS3 P17931 1/20 0.36
▸ LGALS4 P56470 1/20 0.36
▸ CD69 Q07108 1/20 0.36

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
SCHEMBL8578442 1.00 MAPK1 (0.45) MAPK1ALDH1A1THRBCA2CA9
SCHEMBL23705095 1.00 MAPK1 (0.45) MAPK1ALDH1A1THRBCA2CA9
SCHEMBL8578436 1.00 MAPK1 (0.45) MAPK1ALDH1A1THRBCA2CA9
SCHEMBL1743973 0.88 MAPK1 (0.45) MAPK1ALDH1A1THRBCA2CA9
SCHEMBL1743972 0.88 MAPK1 (0.45) MAPK1ALDH1A1THRBCA2CA9
SCHEMBL29172928 0.85 MAPK1 (0.54) MAPK1ALDH1A1THRBCA2CA9
SCHEMBL14819154 0.84 MAPK1 (0.62) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL24299983 0.84 MAPK1 (0.62) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL20904146 0.84 MAPK1 (0.62) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL13780934 0.84 MAPK1 (0.62) MAPK1ALDH1A1THRBMEN1KMT2A

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 MAPK1 3870/4885ALDH1A1 1479/4885THRB 3418/4885
US-20100227835-A1 SUBSTITUTED LIPOSACCHARIDES USEFUL IN THE TREATMENT AND PREVENTION OF ENDOTOXEMIA LIPG, FUT6, UGCG MAPK1 3870/4885ALDH1A1 1479/4885THRB 3418/4885

“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.

Send feedback