SCHEMBL2416151

SCHEMBL2416151

N#Cc1ccc(-c2cc(F)c(F)c(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 2/20 0.35
PIK3CA P42336 1/20 0.34
CHEK1 O14757 5/20 0.33
MET P08581 1/20 0.33
CTSC P53634 1/20 0.33
PDE10A Q9Y233 1/20 0.33
TRPA1 O75762 1/20 0.32
KCNH2 Q12809 1/20 0.32
TNF P01375 1/20 0.31
IDO1 P14902 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR4 P22455 1/20 0.31
FGFR3 P22607 1/20 0.31
AURKA O14965 1/20 0.31
JAK2 O60674 1/20 0.31
CHEK2 O96017 1/20 0.31
CSF1R P07333 1/20 0.31
RPS6KB1 P23443 1/20 0.31
MARK3 P27448 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
SCHEMBL2416154 1.00 LGALS3 (0.35) LGALS3PIK3CACHEK1METCTSC
SCHEMBL2411233 0.86 GBA1 (0.34) CHEK1PDE10A
SCHEMBL2411235 0.86 GBA1 (0.34) CHEK1PDE10A
SCHEMBL2408776 0.84 PTGS2 (0.33) PDE10A
SCHEMBL2408771 0.84 PTGS2 (0.33) PDE10A
SCHEMBL2415877 0.83 TNF (0.35) PIK3CACHEK1PDE10AKCNH2TNF
SCHEMBL2415879 0.83 TNF (0.35) PIK3CACHEK1PDE10AKCNH2TNF
SCHEMBL2412587 0.80 ERN1 (0.38)
SCHEMBL2412590 0.80 ERN1 (0.38)
SCHEMBL315305 0.80 MTOR (0.34) PIK3CAPDE10ATNFFGFR1FGFR2

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 LGALS3 2414/4885PIK3CA 425/4885CHEK1 4651/4885

“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.