SCHEMBL582806

SCHEMBL582806

Cc1ccc(CO[C@H]2[C@H](O)[C@H](O)[C@H](C)O[C@@H]2Sc2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 4/20 0.37
TACR1 P25103 2/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GJA1 P17302 1/20 0.32
GJB2 P29033 1/20 0.32
PDPK1 O15530 1/20 0.32
MTOR P42345 1/20 0.32
SLC6A2 P23975 1/20 0.32
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
SLC5A2 P31639 1/20 0.32
SSTR4 P31391 1/20 0.32
TACR2 P21452 1/20 0.31
SSTR5 P35346 1/20 0.31
BCHE P06276 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
SCHEMBL2682317 0.93 PDPK1 (0.38) PDPK1MTORSLC6A2SSTR4TACR2
SCHEMBL3166119 0.93 PDPK1 (0.38) PDPK1MTORSLC6A2SSTR4TACR2
SCHEMBL7452769 0.88 SLC5A2 (0.40) LGALS3TACR1GJA1GJB2SELL
SCHEMBL7997389 0.88 SLC5A2 (0.40) LGALS3TACR1GJA1GJB2SELL
SCHEMBL7552425 0.88 SLC5A2 (0.40) LGALS3TACR1GJA1GJB2SELL
SCHEMBL7555790 0.88 SLC5A2 (0.40) LGALS3TACR1GJA1GJB2SELL
SCHEMBL18385956 0.87 LGALS3 (0.38) LGALS3TACR1PDPK1MTORSLC6A2
SCHEMBL584260 0.86 TACR1 (0.38) LGALS3TACR1NPC1RAB9APDPK1
SCHEMBL5942515 0.85 PDPK1 (0.38) LGALS3GJB2PDPK1MTORSLC6A2
SCHEMBL22046241 0.85 PDPK1 (0.38) LGALS3GJB2PDPK1MTORSLC6A2

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 5 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
US-8927698-B2 Method for the synthesis of a trisaccharide GLYCOM A/S (DK) 2015-01-06 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
WO-2010115935-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 (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-20120116065-A1 NOVEL METHOD FOR THE SYNTHESIS OF A TRISACCHARIDE FUT6, FUT5, GALE LGALS3 335/4885TACR1 3881/4885NPC1 3275/4885

“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.