SCHEMBL2409220

SCHEMBL2409220

Cc1ncccc1-c1cccc(O[C@H]2SC[C@@H](O)[C@H](O)[C@H]2O)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.36
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
DHODH Q02127 5/20 0.34
CYP1A2 P05177 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
MGLL Q99685 1/20 0.33
PDE10A Q9Y233 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
NR3C1 P04150 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 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
SCHEMBL2409219 1.00 ABL1 (0.36) ABL1MKNK1MKNK2DHODHCYP1A2
SCHEMBL2417330 0.89 PRMT5 (0.40) DHODHPRMT5WDR77
SCHEMBL2417328 0.89 PRMT5 (0.40) DHODHPRMT5WDR77
SCHEMBL2411516 0.87 DHFR (0.37) DHODHPDE10AADORA3DYRK1ACLK4
SCHEMBL2411520 0.87 DHFR (0.37) DHODHPDE10AADORA3DYRK1ACLK4
SCHEMBL315039 0.87 ABL1 (0.35) ABL1MKNK1MKNK2PDE10A
SCHEMBL315038 0.87 ABL1 (0.35) ABL1MKNK1MKNK2PDE10A
SCHEMBL2410624 0.87 CTSA (0.36) DHODHPDE10AADORA3
SCHEMBL2410623 0.87 CTSA (0.36) DHODHPDE10AADORA3
SCHEMBL2408740 0.84 CYP2A6 (0.37) ABL1DHODHMGLLPDE10AADORA3

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 ABL1 2708/4885MKNK1 2501/4885MKNK2 2929/4885

“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.