SCHEMBL2414409

SCHEMBL2414409

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cccc(-c3cnn(C)c3)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 2/20 0.37
GSK3B P49841 2/20 0.37
DYRK1A Q13627 2/20 0.37
IRAK4 Q9NWZ3 7/20 0.37
IRAK1 P51617 6/20 0.37
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
CREBBP Q92793 3/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
BRD4 O60885 2/20 0.35
ABL1 P00519 1/20 0.35
FYN P06241 1/20 0.35
FGFR2 P21802 1/20 0.35
KDR P35968 1/20 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
SCHEMBL2414404 1.00 WNT1 (0.37) WNT1GSK3BDYRK1AIRAK4IRAK1
SCHEMBL3401124 0.87 MKNK1 (0.39) GSK3BDYRK1AFGFR4FGFR3CREBBP
SCHEMBL315095 0.87 MKNK1 (0.39) GSK3BDYRK1AFGFR4FGFR3CREBBP
SCHEMBL2411065 0.84 CYP11B1 (0.39) ABL1
SCHEMBL2411071 0.84 CYP11B1 (0.39) ABL1
SCHEMBL2412630 0.84 MGLL (0.37) GSK3BIRAK1
SCHEMBL2412632 0.84 MGLL (0.37) GSK3BIRAK1
SCHEMBL2409627 0.83 MKNK1 (0.38) WNT1GSK3BDYRK1ABRD4ABL1
SCHEMBL2409623 0.83 MKNK1 (0.38) WNT1GSK3BDYRK1ABRD4ABL1
SCHEMBL3399315 0.82 FYN (0.35) DYRK1AFGFR4FGFR3CREBBPABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013010-B2 5-thioxylopyranose compounds LABORATOIRES FOURNIER S.A. (FR) 2011-09-06 US disclosed
US-20090186840-A1 5-Thioxylopyranose Compounds LABORATOIRES FOURNIER S.A (FR) 2009-07-23 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-20090186840-A1 5-Thioxylopyranose Compounds TPMT, PNPO, CYP3A5 WNT1 3783/4885GSK3B 3081/4885DYRK1A 4436/4885

“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.