SCHEMBL2411945

SCHEMBL2411945

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cccc(-c3cnccn3)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 2/20 0.38
PORCN Q9H237 1/20 0.37
ABL1 P00519 2/20 0.37
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
FYN P06241 2/20 0.33
PIK3CA P42336 1/20 0.33
GRK6 P43250 1/20 0.32
SYK P43405 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
FAAH O00519 1/20 0.31
WNT3A P56704 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
PIM1 P11309 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 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
SCHEMBL2411942 1.00 PIM2 (0.38) PIM2PORCNABL1PRMT5WDR77
SCHEMBL2411860 0.88 ABL1 (0.37) ABL1PRMT5WDR77MAPTKMT2A
SCHEMBL316178 0.88 ABL1 (0.31) ABL1PIK3CA
SCHEMBL316176 0.88 ABL1 (0.31) ABL1PIK3CA
SCHEMBL2411863 0.88 ABL1 (0.37) ABL1PRMT5WDR77MAPTKMT2A
SCHEMBL2411071 0.87 CYP11B1 (0.39) ABL1PIK3CAFAAH
SCHEMBL2411065 0.87 CYP11B1 (0.39) ABL1PIK3CAFAAH
SCHEMBL2410743 0.86 ABL1 (0.39) ABL1MAPTKMT2AFYN
SCHEMBL2408960 0.86 WNK1 (0.37) ABL1MAPTFYNDYRK1A
SCHEMBL2410744 0.86 ABL1 (0.39) ABL1MAPTKMT2AFYN

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 PIM2 3132/4885PORCN 860/4885ABL1 2708/4885

“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.