SCHEMBL2412489

SCHEMBL2412489

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cccc(-c2ccncc2Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.36
CTSA P10619 1/20 0.36
ABL1 P00519 1/20 0.36
RPS6KA3 P51812 2/20 0.35
DGAT2 Q96PD7 8/20 0.33
GRM5 P41594 2/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
MGAT2 Q10469 1/20 0.32
CDC7 O00311 1/20 0.31
ROCK2 O75116 1/20 0.31
MAP4K4 O95819 1/20 0.31
PRKACA P17612 1/20 0.31
CDK2 P24941 1/20 0.31
GSK3B P49841 1/20 0.31
HIPK2 Q9H2X6 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
IRAK4 Q9NWZ3 1/20 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
SCHEMBL2412492 1.00 FFAR1 (0.36) FFAR1CTSAABL1RPS6KA3DGAT2
SCHEMBL3398727 0.90 ABL1 (0.34) FFAR1CTSAABL1CCNCCDK8
SCHEMBL316221 0.90 ABL1 (0.34) FFAR1CTSAABL1CCNCCDK8
SCHEMBL2409995 0.88 PRMT5 (0.37) ABL1
SCHEMBL2409998 0.88 PRMT5 (0.37) ABL1
SCHEMBL2411065 0.85 CYP11B1 (0.39) ABL1MKNK2
SCHEMBL2411071 0.85 CYP11B1 (0.39) ABL1MKNK2
SCHEMBL2412632 0.85 MGLL (0.37) CDC7ROCK2PRKACACDK2GSK3B
SCHEMBL2412630 0.85 MGLL (0.37) CDC7ROCK2PRKACACDK2GSK3B
SCHEMBL2408041 0.84 ABL1 (0.38) ABL1MKNK2IRAK4

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 FFAR1 4195/4885CTSA 3358/4885ABL1 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.