SCHEMBL582240

SCHEMBL582240

C[C@@H]1O[C@H](Sc2ccccc2)[C@@H](O)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
LGALS3 P17931 3/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL14962616 1.00 CYP3A4 (0.35) CYP3A4MAPK1LGALS3ALDH1A1MEN1
SCHEMBL7999756 1.00 CYP3A4 (0.35) CYP3A4MAPK1LGALS3ALDH1A1MEN1
SCHEMBL14968526 1.00 CYP3A4 (0.35) CYP3A4MAPK1LGALS3ALDH1A1MEN1
SCHEMBL7458744 1.00 CYP3A4 (0.35) CYP3A4MAPK1LGALS3ALDH1A1MEN1
SCHEMBL12691080 0.90 CYP3A4 (0.34) CYP3A4MAPK1LGALS3ALDH1A1MEN1
SCHEMBL4279232 0.86 GSTP1 (0.32) LGALS3
SCHEMBL13657211 0.86 GSTP1 (0.32) LGALS3
SCHEMBL8015303 0.82 CA12 (0.42) LGALS3ALDH1A1
SCHEMBL12691651 0.81 CYP3A4 (0.33) CYP3A4MAPK1ALDH1A1
SCHEMBL5691368 0.78 FUCA1 (0.44) MAPK1LGALS3ALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417144-B1 SYNTHESIS OF 2'-O-FUCOSYLLACTOSE GLYCOM AS (DK) 2017-08-23 EP disclosed
EP-2417143-B1 SYNTHESIS OF 2'-O-FUCOSYLLACTOSE GLYCOM AS (DK) 2016-12-21 EP disclosed
US-9012625-B2 Method for the synthesis of a trisaccharide GLYCOM A/S (DK) 2015-04-21 US disclosed
US-8927698-B2 Method for the synthesis of a trisaccharide GLYCOM A/S (DK) 2015-01-06 US disclosed
US-20130131334-A1 METHOD FOR THE SYNTHESIS OF A TRISACCHARIDE Glycom A/S Danmarks Tekniske Universitet (DK) 2013-05-23 US disclosed
US-20120116065-A1 NOVEL METHOD FOR THE SYNTHESIS OF A TRISACCHARIDE GLYCOM A/S (DK) 2012-05-10 US disclosed
EP-2417144-A1 SYNTHESIS OF 2 ' -O-FUCOSYLLACTOSE Glycom A/S (DK) 2012-02-15 EP disclosed
EP-2417143-A1 SYNTHESIS OF 2'-O-FUCOSYLLACTOSE Glycom A/S (DK) 2012-02-15 EP disclosed
WO-2010115935-A1 SYNTHESIS OF 2 ' -O-FUCOSYLLACTOSE GLYCOM A/S (DK) 2010-10-14 WO disclosed
WO-2010115934-A1 SYNTHESIS OF 2'-O-FUCOSYLLACTOSE GLYCOM A/S (DK) 2010-10-14 WO 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-20120116065-A1 NOVEL METHOD FOR THE SYNTHESIS OF A TRISACCHARIDE FUT6, FUT5, GALE CYP3A4 1433/4885MAPK1 2780/4885LGALS3 335/4885
US-20130131334-A1 METHOD FOR THE SYNTHESIS OF A TRISACCHARIDE UGGT1, FUT6, MAN1B1 CYP3A4 908/4885MAPK1 1780/4885LGALS3 439/4885

“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.