SCHEMBL316246

SCHEMBL316246

Cn1cc(-c2cncc(O[C@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
INPPL1 O15357 1/20 0.39
CYP11B2 P19099 1/20 0.35
DYRK1A Q13627 3/20 0.34
FGFR3 P22607 8/20 0.34
FGFR2 P21802 7/20 0.34
FGFR4 P22455 6/20 0.34
FGFR1 P11362 5/20 0.34
DYRK1B Q9Y463 1/20 0.34
GSK3B P49841 1/20 0.33
PDK2 Q15119 1/20 0.33
KDR P35968 3/20 0.32
IRAK1 P51617 1/20 0.32
CHEK1 O14757 1/20 0.32
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
ACLY P53396 1/20 0.32

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
SCHEMBL316245 1.00 MKNK1 (0.39) MKNK1MKNK2INPPL1CYP11B2DYRK1A
SCHEMBL2412655 0.85 IRAK1 (0.42) FGFR3FGFR2FGFR4PDK2IRAK1
SCHEMBL2412658 0.85 IRAK1 (0.42) FGFR3FGFR2FGFR4PDK2IRAK1
SCHEMBL315031 0.84 CYP1A1 (0.41) MKNK1MKNK2CYP11B2
SCHEMBL315032 0.84 CYP1A1 (0.41) MKNK1MKNK2CYP11B2
SCHEMBL314720 0.83 CYP2A6 (0.35) CYP11B2
SCHEMBL314721 0.83 CYP2A6 (0.35) CYP11B2
SCHEMBL314972 0.83 CHRNB1 (0.36)
SCHEMBL314973 0.83 CHRNB1 (0.36)
SCHEMBL2142244 0.81 CHRNB1 (0.41) MKNK1MKNK2CYP11B2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093394-B2 Derivatives of 5-thioxylopyranose and use of same for treatment LABORATOIRES FOURNIER S.A. (FR) 2012-01-10 US disclosed
EP-2066683-B1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT FOURNIER LAB SA (FR) 2010-11-03 EP disclosed
US-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment LABORATOIRES FOURNIER S.A. (FR) 2009-07-16 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-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment TPMT, PNPO, PPOX MKNK1 3785/4885MKNK2 3726/4885INPPL1 298/4885

“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.