SCHEMBL315119

SCHEMBL315119

O[C@@H]1[C@@H](O)[C@H](Oc2cc(-c3ccnc(F)c3)cnc2F)SC[C@H]1O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.34
UGCG Q16739 1/20 0.34
GBA2 Q9HCG7 1/20 0.34
MAPT P10636 2/20 0.33
AAK1 Q2M2I8 2/20 0.33
GRM5 P41594 3/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
IDO1 P14902 1/20 0.31
ROCK2 O75116 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
SCHEMBL315120 1.00 GBA1 (0.34) GBA1UGCGGBA2MAPTAAK1
SCHEMBL316024 0.88 PDGFRB (0.33) MAPT
SCHEMBL316023 0.88 PDGFRB (0.33) MAPT
SCHEMBL315829 0.86 CYP2A6 (0.34) GBA1UGCGGBA2GRM5KCNH2
SCHEMBL315830 0.86 CYP2A6 (0.34) GBA1UGCGGBA2GRM5KCNH2
SCHEMBL2411021 0.85 DYRK1A (0.38) GBA1UGCGGBA2AAK1
SCHEMBL2411023 0.85 DYRK1A (0.38) GBA1UGCGGBA2AAK1
SCHEMBL2418143 0.85 GBA1 (0.36) GBA1UGCGGBA2AAK1
SCHEMBL2418141 0.85 GBA1 (0.36) GBA1UGCGGBA2AAK1
SCHEMBL314886 0.83 CYP11B2 (0.37)

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 5 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
EP-2066683-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER SA (FR) 2009-06-10 EP disclosed
WO-2008037922-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT 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-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment TPMT, PNPO, PPOX GBA1 2399/4885UGCG 847/4885GBA2 2440/4885

“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.