SCHEMBL316113

SCHEMBL316113

Cn1cc(-c2ccc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c(F)n2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.36
TTK P33981 1/20 0.35
NTRK1 P04629 3/20 0.35
NTRK3 Q16288 3/20 0.35
NTRK2 Q16620 3/20 0.35
KCNH2 Q12809 2/20 0.35
CHEK1 O14757 1/20 0.34
IRAK1 P51617 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
MAPT P10636 3/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
CLK2 P49760 2/20 0.33
HIPK1 Q86Z02 2/20 0.33
DYRK2 Q92630 2/20 0.33
HIPK2 Q9H2X6 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL316114 1.00 FYN (0.36) FYNTTKNTRK1NTRK3NTRK2
SCHEMBL314874 0.82
SCHEMBL314873 0.82
SCHEMBL314862 0.82 MAOB (0.34) MAPTPIK3CAMTOR
SCHEMBL314861 0.82 MAOB (0.34) MAPTPIK3CAMTOR
SCHEMBL316205 0.81 MAPT (0.34) MAPTCLK4DYRK1ADYRK1BMTOR
SCHEMBL316204 0.81 MAPT (0.34) MAPTCLK4DYRK1ADYRK1BMTOR
SCHEMBL315042 0.81 MAP2K3 (0.32)
SCHEMBL315041 0.81 MAP2K3 (0.32)
SCHEMBL316545 0.79 FYN (0.37) FYNCHEK1IRAK1IRAK4PIM1

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 FYN 425/4885TTK 1726/4885NTRK1 4883/4885

“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.