SCHEMBL2409623

SCHEMBL2409623

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cc(-c2cnn(C)c2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
KCNH2 Q12809 2/20 0.38
GRIN2B Q13224 2/20 0.38
TTK P33981 5/20 0.36
LRRK2 Q5S007 1/20 0.36
BRD4 O60885 1/20 0.35
PLK1 P53350 2/20 0.35
PLK3 Q9H4B4 2/20 0.35
CYP3A4 P08684 1/20 0.35
GSK3B P49841 2/20 0.35
DYRK1A Q13627 2/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
ABL1 P00519 1/20 0.34
WNT1 P04628 1/20 0.34
MET P08581 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL2409627 1.00 MKNK1 (0.38) MKNK1MKNK2KCNH2GRIN2BTTK
SCHEMBL2407402 0.86 KMO (0.34) BRD4
SCHEMBL2407398 0.86 KMO (0.34) BRD4
SCHEMBL2414100 0.84 KMO (0.34) PLK1PLK3DYRK1A
SCHEMBL2414104 0.84 KMO (0.34) PLK1PLK3DYRK1A
SCHEMBL2411649 0.84 KMO (0.35) GRIN2BTTK
SCHEMBL2411645 0.84 KMO (0.35) GRIN2BTTK
SCHEMBL2415378 0.83 MKNK1 (0.40) MKNK1MKNK2BRD4
SCHEMBL2412082 0.83 KMO (0.34) GRIN2BMET
SCHEMBL2412620 0.83 ERN1 (0.38) MKNK1MKNK2BRD4GSK3BDYRK1A

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 2 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

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 MKNK1 2501/4885MKNK2 2929/4885KCNH2 3664/4885

“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.