SCHEMBL315451

SCHEMBL315451

O[C@@H]1[C@@H](O)[C@@H](Oc2cnc(-c3ccnc(F)c3)c(F)c2)SC[C@H]1O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 3/20 0.33
GBA1 P04062 1/20 0.32
UGCG Q16739 1/20 0.32
GBA2 Q9HCG7 1/20 0.32
GRM5 P41594 3/20 0.31
ADORA2B P29275 2/20 0.30
AAK1 Q2M2I8 1/20 0.30
IDO1 P14902 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL315450 1.00 WNT3A (0.33) WNT3AGBA1UGCGGBA2GRM5
SCHEMBL314177 0.91 WNT3A (0.36) WNT3AAAK1
SCHEMBL314176 0.91 WNT3A (0.36) WNT3AAAK1
SCHEMBL316045 0.90 ADORA3 (0.31) ADORA2B
SCHEMBL316044 0.90 ADORA3 (0.31) ADORA2B
SCHEMBL313939 0.88 KDM1A (0.35) GBA1UGCGGBA2
SCHEMBL313940 0.88 KDM1A (0.35) GBA1UGCGGBA2
SCHEMBL2142529 0.86 DHODH (0.33)
SCHEMBL2142524 0.86 DHODH (0.33)
SCHEMBL313963 0.85 CYP2C19 (0.35) GRM5ADORA2B

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 WNT3A 3522/4885GBA1 2399/4885UGCG 847/4885

“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.