SCHEMBL316440

SCHEMBL316440

O[C@@H]1[C@@H](O)[C@H](Oc2cncc(-c3ccnc(F)c3)c2)SC[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
GRM5 P41594 3/20 0.34
GBA1 P04062 1/20 0.34
UGCG Q16739 1/20 0.34
GBA2 Q9HCG7 1/20 0.34
AAK1 Q2M2I8 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MAP4K4 O95819 1/20 0.30
MINK1 Q8N4C8 1/20 0.30
TNIK Q9UKE5 1/20 0.30
DYRK1A Q13627 1/20 0.30
IDO1 P14902 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
SCHEMBL316441 1.00 MAPT (0.34) MAPTGRM5GBA1UGCGGBA2
SCHEMBL315084 0.87 CYP11B2 (0.37) AAK1DYRK1A
SCHEMBL315298 0.87 CYP19A1 (0.33) GRM5AAK1MAP4K4IDO1
SCHEMBL315299 0.87 CYP19A1 (0.33) GRM5AAK1MAP4K4IDO1
SCHEMBL315085 0.87 CYP11B2 (0.37) AAK1DYRK1A
SCHEMBL2411437 0.86 GRM5 (0.37) GRM5GBA1UGCGGBA2
SCHEMBL2411434 0.86 GRM5 (0.37) GRM5GBA1UGCGGBA2
SCHEMBL2142902 0.86 CYP11B1 (0.38)
SCHEMBL314606 0.86 CYP11B1 (0.36) GRM5GBA1UGCGGBA2DYRK1A
SCHEMBL314605 0.86 CYP11B1 (0.36) GRM5GBA1UGCGGBA2DYRK1A

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 MAPT 4436/4885GRM5 1127/4885GBA1 2399/4885

“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.