SCHEMBL2409564

SCHEMBL2409564

Cc1cc(-c2cc(F)c(F)c(O[C@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.36
PDK2 Q15119 1/20 0.33
DYRK1A Q13627 1/20 0.33
GRM2 Q14416 6/20 0.33
WNT3A P56704 3/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
CYP11B2 P19099 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
PIK3CB P42338 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
SCHEMBL2409561 1.00 AAK1 (0.36) AAK1PDK2DYRK1AGRM2WNT3A
SCHEMBL2418141 0.89 GBA1 (0.36) AAK1
SCHEMBL2418143 0.89 GBA1 (0.36) AAK1
SCHEMBL2408771 0.86 PTGS2 (0.33)
SCHEMBL2408776 0.86 PTGS2 (0.33)
SCHEMBL2407848 0.85 CYP17A1 (0.32) CYP11B2
SCHEMBL2407847 0.85 CYP17A1 (0.32) CYP11B2
SCHEMBL2410556 0.83 DYRK1A (0.41) AAK1PDK2DYRK1AGRM2
SCHEMBL2410548 0.83 DYRK1A (0.41) AAK1PDK2DYRK1AGRM2
SCHEMBL2411235 0.81 GBA1 (0.34)

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 4 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
EP-2066681-A1 NEW DERIVATIVES OF 5-THIOXILOPYRANOSE LABORATOIRES FOURNIER SA (FR) 2009-06-10 EP disclosed
WO-2008037923-A1 NEW DERIVATIVES OF 5-THIOXILOPYRANOSE LABORATOIRES FOURNIER S.A. (FR) 2008-04-03 WO 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 AAK1 3359/4885PDK2 1614/4885DYRK1A 4436/4885

“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.