SCHEMBL315437

SCHEMBL315437

O[C@@H]1[C@@H](O)[C@H](Oc2cncc(-c3cccnc3F)c2)SC[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNA6 Q15825 1/20 0.39
CYP11B2 P19099 2/20 0.38
CYP11B1 P15538 1/20 0.38
MAPT P10636 2/20 0.36
GRM5 P41594 2/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ABL1 P00519 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
SCHEMBL315438 1.00 CHRNB2 (0.39) CHRNB2CHRNA6CYP11B2CYP11B1MAPT
SCHEMBL315039 0.89 ABL1 (0.35) CHRNB2CHRNA6ABL1
SCHEMBL315038 0.89 ABL1 (0.35) CHRNB2CHRNA6ABL1
SCHEMBL316723 0.87 CTSA (0.31) GRM5
SCHEMBL316724 0.87 CTSA (0.31) GRM5
SCHEMBL2417328 0.87 PRMT5 (0.40) CYP11B2GRM5PRMT5WDR77
SCHEMBL2417330 0.87 PRMT5 (0.40) CYP11B2GRM5PRMT5WDR77
SCHEMBL2142378 0.86 CYP11B1 (0.36) CHRNB2CYP11B2CYP11B1MAPTGRM5
SCHEMBL2142383 0.86 CYP11B1 (0.36) CHRNB2CYP11B2CYP11B1MAPTGRM5
SCHEMBL313943 0.85 ABL1 (0.41) ABL1

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 CHRNB2 4851/4885CHRNA6 4530/4885CYP11B2 261/4885

“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.