SCHEMBL2410690

SCHEMBL2410690

O[C@@H]1[C@@H](O)[C@H](Oc2cccc(-c3ncccn3)c2)SC[C@H]1O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.46
DYRK1A Q13627 1/20 0.46
MGLL Q99685 1/20 0.37
CYP19A1 P11511 2/20 0.36
ADORA3 P0DMS8 10/20 0.35
DHODH Q02127 3/20 0.33
CYP1A2 P05177 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
IGF1R P08069 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
SCHEMBL2410694 1.00 CLK4 (0.46) CLK4DYRK1AMGLLCYP19A1ADORA3
SCHEMBL2409726 0.86 PRMT5 (0.38) ADORA3TDP1
SCHEMBL2409730 0.86 PRMT5 (0.38) ADORA3TDP1
SCHEMBL2408725 0.85 MGLL (0.37) MGLLADORA3
SCHEMBL2408727 0.85 MGLL (0.37) MGLLADORA3
SCHEMBL314681 0.84 DGAT2 (0.32) CLK4DYRK1A
SCHEMBL314682 0.84 DGAT2 (0.32) CLK4DYRK1A
SCHEMBL2408740 0.83 CYP2A6 (0.37) CLK4DYRK1AMGLLADORA3DHODH
SCHEMBL2408742 0.83 CYP2A6 (0.37) CLK4DYRK1AMGLLADORA3DHODH
SCHEMBL2410624 0.83 CTSA (0.36) ADORA3DHODH

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 CLK4 4832/4885DYRK1A 4436/4885MGLL 2248/4885

“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.