SCHEMBL584139

SCHEMBL584139

C[C@@H]1O[C@H](Sc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.40
MTOR P42345 1/20 0.40
SSTR1 P30872 1/20 0.36
SSTR2 P30874 1/20 0.36
SSTR4 P31391 1/20 0.36
SSTR3 P32745 1/20 0.36
SSTR5 P35346 1/20 0.36
BCHE P06276 3/20 0.34
ACHE P22303 2/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
TACR1 P25103 2/20 0.32
PTPN1 P18031 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
SCHEMBL13858947 1.00 PDPK1 (0.40) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL19669778 1.00 PDPK1 (0.40) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL13775043 1.00 PDPK1 (0.40) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL7023289 0.92 PDPK1 (0.37) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL584260 0.92 TACR1 (0.38) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL8469404 0.91 LTA4H (0.40) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL25981669 0.91 FGF1 (0.38) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL9058173 0.91 PDPK1 (0.36) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL8831280 0.91 PDPK1 (0.36) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL8831054 0.91 PDPK1 (0.36) PDPK1MTORSSTR1SSTR2SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834574-B2 Crystalline 3-O-fucosyllactose GLYCOM A/S (DK) 2017-12-05 US disclosed
EP-2943500-B1 CRYSTALLINE 3-O-FUCOSYLLACTOSE GLYCOM AS (DK) 2017-11-08 EP disclosed
EP-2828275-B1 SYNTHESIS OF THE TRISACCHARIDE 3-O-FUCOSYLLACTOSE AND INTERMEDIATES THEREOF GLYCOM AS (DK) 2017-03-01 EP disclosed
EP-2417143-B1 SYNTHESIS OF 2'-O-FUCOSYLLACTOSE GLYCOM AS (DK) 2016-12-21 EP disclosed
US-20150291642-A1 CRYSTALLINE 3-O-FUCOSYLLACTOSE GLYCOM A/S (DK) 2015-10-15 US disclosed
US-9012625-B2 Method for the synthesis of a trisaccharide GLYCOM A/S (DK) 2015-04-21 US disclosed
US-20150065702-A1 Synthesis of the Trisaccharide 3-O-Fucosyllactose and Intermediates Thereof GLYCOM A/S (DK) 2015-03-05 US disclosed
US-20130131334-A1 METHOD FOR THE SYNTHESIS OF A TRISACCHARIDE Glycom A/S Danmarks Tekniske Universitet (DK) 2013-05-23 US disclosed
EP-2417143-A1 SYNTHESIS OF 2'-O-FUCOSYLLACTOSE Glycom A/S (DK) 2012-02-15 EP disclosed
WO-2010115934-A1 SYNTHESIS OF 2'-O-FUCOSYLLACTOSE GLYCOM A/S (DK) 2010-10-14 WO disclosed
US-20090176970-A1 Preparation of Thiosugars and Their Use GLYCOFORM LIMITED (GB) 2009-07-09 US disclosed
EP-2007782-A2 THE PREPARATION OF THIOSUGARS AND THEIR USE Glycoform Limited (GB) 2008-12-31 EP disclosed
WO-2007091040-A2 THE PREPARATION OF THIOSUGARS AND THEIR USE GLYCOFORM LIMITED (GB) 2007-08-16 WO disclosed
US-5869460-A ANTIINFLAMMATORY AGENTS SANWA KAGUKU KENKYUSHO CO., LTD. (JP) 1999-02-09 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 (4 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-20090176970-A1 Preparation of Thiosugars and Their Use TST, TREH, FUT6 PDPK1 4643/4885MTOR 1310/4885SSTR1 2311/4885
US-20130131334-A1 METHOD FOR THE SYNTHESIS OF A TRISACCHARIDE UGGT1, FUT6, MAN1B1 PDPK1 2890/4885MTOR 1403/4885SSTR1 909/4885
US-20150065702-A1 Synthesis of the Trisaccharide 3-O-Fucosyllactose and Intermediates Thereof FUCA1, FUCA2, FUT6 PDPK1 4084/4885MTOR 2816/4885SSTR1 541/4885
US-20150291642-A1 CRYSTALLINE 3-O-FUCOSYLLACTOSE FUCA2, FUT6, FUCA1 PDPK1 3280/4885MTOR 3600/4885SSTR1 2689/4885

“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.