SCHEMBL2410312

SCHEMBL2410312

O[C@@H]1[C@@H](O)[C@@H](Oc2cccc(-c3ccncc3Cl)c2)SC[C@H]1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.37
RPS6KA3 P51812 2/20 0.37
FFAR1 O14842 2/20 0.37
CTSA P10619 1/20 0.36
ABL1 P00519 1/20 0.36
CDC7 O00311 1/20 0.33
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 1/20 0.33
PRKACA P17612 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
HIPK2 Q9H2X6 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
DGAT2 Q96PD7 3/20 0.32
ADORA3 P0DMS8 2/20 0.31
ADORA2B P29275 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
SCHEMBL2410309 1.00 GRM5 (0.37) GRM5RPS6KA3FFAR1CTSAABL1
SCHEMBL314847 0.88 ABL1 (0.34) GRM5CTSAABL1CCNCCDK8
SCHEMBL314846 0.88 ABL1 (0.34) GRM5CTSAABL1CCNCCDK8
SCHEMBL2415556 0.85 PRMT5 (0.40) GRM5RPS6KA3ABL1SLC22A12
SCHEMBL2415552 0.85 PRMT5 (0.40) GRM5RPS6KA3ABL1SLC22A12
SCHEMBL2412631 0.83 RPS6KA3 (0.40) RPS6KA3ABL1CLK4IRAK4DGAT2
SCHEMBL2412635 0.83 RPS6KA3 (0.40) RPS6KA3ABL1CLK4IRAK4DGAT2
SCHEMBL2414587 0.83 MKNK1 (0.38) ABL1MKNK2
SCHEMBL2414591 0.83 MKNK1 (0.38) ABL1MKNK2
SCHEMBL2408725 0.83 MGLL (0.37) ADORA3

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 GRM5 1127/4885RPS6KA3 1364/4885FFAR1 4195/4885

“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.