SCHEMBL313709

SCHEMBL313709

O[C@@H]1[C@@H](O)[C@H](Oc2ccc(-c3ccnc(F)c3)nc2)SC[C@H]1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
MAP4K4 O95819 4/20 0.35
MINK1 Q8N4C8 4/20 0.35
TNIK Q9UKE5 4/20 0.35
ROCK2 O75116 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
AKT1 P31749 1/20 0.35
PRKG1 Q13976 1/20 0.35
WNT3A P56704 1/20 0.34
MAPT P10636 3/20 0.33
GRM5 P41594 2/20 0.33
MAPK1 P28482 1/20 0.32
GBA1 P04062 1/20 0.32
UGCG Q16739 1/20 0.32
GBA2 Q9HCG7 1/20 0.32
PDE10A Q9Y233 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL313710 1.00 IDO1 (0.35) IDO1MAP4K4MINK1TNIKROCK2
SCHEMBL315695 0.87 WNT3A (0.36) WNT3A
SCHEMBL315861 0.87 IDO1 (0.35) IDO1MAP4K4ROCK2MTOR
SCHEMBL315694 0.87 WNT3A (0.36) WNT3A
SCHEMBL315862 0.87 IDO1 (0.35) IDO1MAP4K4ROCK2MTOR
SCHEMBL314666 0.85 GRIN1 (0.33) MAPTGBA1UGCGGBA2MTOR
SCHEMBL314665 0.85 GRIN1 (0.33) MAPTGBA1UGCGGBA2MTOR
SCHEMBL314277 0.85 CYP11B1 (0.35) WNT3AGRM5
SCHEMBL314276 0.85 CYP11B1 (0.35) WNT3AGRM5
SCHEMBL315451 0.84 WNT3A (0.33) IDO1WNT3AGRM5GBA1UGCG

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 IDO1 1182/4885MAP4K4 4447/4885MINK1 4277/4885

“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.