SCHEMBL2411520

SCHEMBL2411520

COc1ncccc1-c1cccc(O[C@H]2SC[C@@H](O)[C@H](O)[C@H]2O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.37
PDE10A Q9Y233 2/20 0.37
ADORA3 P0DMS8 2/20 0.36
USP30 Q70CQ3 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
DHODH Q02127 2/20 0.34
NAAA Q02083 2/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL2411516 1.00 DHFR (0.37) DHFRPDE10AADORA3USP30DYRK1A
SCHEMBL313944 0.88 ABL1 (0.41) DHFRPDE10ALOXL2ALOX5APFEN1
SCHEMBL313943 0.88 ABL1 (0.41) DHFRPDE10ALOXL2ALOX5APFEN1
SCHEMBL2409219 0.87 ABL1 (0.36) PDE10AADORA3DYRK1ACLK4DHODH
SCHEMBL2409220 0.87 ABL1 (0.36) PDE10AADORA3DYRK1ACLK4DHODH
SCHEMBL2417328 0.85 PRMT5 (0.40) DHODHCTSDBACE1BACE2
SCHEMBL2410623 0.85 CTSA (0.36) PDE10AADORA3PDE4APDE4BPDE4C
SCHEMBL2417330 0.85 PRMT5 (0.40) DHODHCTSDBACE1BACE2
SCHEMBL2410624 0.85 CTSA (0.36) PDE10AADORA3PDE4APDE4BPDE4C
SCHEMBL2411819 0.82 EIF4E (0.37) DYRK1ALOXL2ALOX5APFEN1DHODH

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 4 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
EP-2066681-A1 NEW DERIVATIVES OF 5-THIOXILOPYRANOSE LABORATOIRES FOURNIER SA (FR) 2009-06-10 EP disclosed
WO-2008037923-A1 NEW DERIVATIVES OF 5-THIOXILOPYRANOSE LABORATOIRES FOURNIER S.A. (FR) 2008-04-03 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-20090186840-A1 5-Thioxylopyranose Compounds TPMT, PNPO, CYP3A5 DHFR 146/4885PDE10A 1815/4885ADORA3 3240/4885

“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.