SCHEMBL2412448

SCHEMBL2412448

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cc(-c3ccnc(F)c3)cc(F)c2F)SC[C@H]1OC(C)=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.32
MAPK14 Q16539 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
ROCK2 O75116 1/20 0.30
CYP3A4 P08684 1/20 0.30
PRKACA P17612 1/20 0.30
ROCK1 Q13464 1/20 0.30

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
SCHEMBL2412447 1.00 GSK3B (0.32) GSK3BMAPK14AAK1ROCK2CYP3A4
SCHEMBL2408955 0.92 WNT3A (0.33) GSK3BMAPK14AAK1
SCHEMBL2408961 0.92 WNT3A (0.33) GSK3BMAPK14AAK1
SCHEMBL2410451 0.89 ABCB1 (0.31)
SCHEMBL2410439 0.89 ABCB1 (0.31)
SCHEMBL2408347 0.87 DYRK1A (0.35) AAK1ROCK2
SCHEMBL2408349 0.87 DYRK1A (0.35) AAK1ROCK2
SCHEMBL316435 0.87 ROCK2 (0.32) GSK3BAAK1ROCK2
SCHEMBL316436 0.87 ROCK2 (0.32) GSK3BAAK1ROCK2
SCHEMBL2415176 0.87 F2R (0.32)

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 GSK3B 3081/4885MAPK14 3563/4885AAK1 3359/4885

“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.