SCHEMBL314863

SCHEMBL314863

O[C@@H]1[C@@H](O)[C@H](Oc2cccnc2-c2cccnc2)SC[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP2A6 P11509 5/20 0.40
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CHRNB4 P30926 3/20 0.34
CHRNA3 P32297 3/20 0.34
CHRNA1 P02708 2/20 0.34
CHRNG P07510 2/20 0.34
CHRNB1 P11230 2/20 0.34
CHRNA7 P36544 2/20 0.34
CHRND Q07001 2/20 0.34
KCNH2 Q12809 2/20 0.34
PDE10A Q9Y233 1/20 0.33
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 2/20 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
SCHEMBL314864 1.00 CYP11B1 (0.43) CYP11B1CYP11B2CYP2A6ADRA1DADRA1A
SCHEMBL314294 0.91 PDE10A (0.33) CYP11B1CYP11B2PDE10AADORA3
SCHEMBL314295 0.91 PDE10A (0.33) CYP11B1CYP11B2PDE10AADORA3
SCHEMBL2142950 0.89 CYP11B1 (0.36) CYP11B1CYP11B2PDE10AALDH1A1CYP1A2
SCHEMBL2142958 0.89 CYP11B1 (0.36) CYP11B1CYP11B2PDE10AALDH1A1CYP1A2
SCHEMBL315590 0.88 CYP11B1 (0.40) CYP11B1CYP11B2ALDH1A1CYP1A2
SCHEMBL315589 0.88 CYP11B1 (0.40) CYP11B1CYP11B2ALDH1A1CYP1A2
SCHEMBL2411088 0.86 CHRNB4 (0.46) CYP11B1CYP11B2CYP2A6ADRA1DADRA1A
SCHEMBL2411085 0.86 CHRNB4 (0.46) CYP11B1CYP11B2CYP2A6ADRA1DADRA1A
SCHEMBL316097 0.86 MAPT (0.32) CYP2A6CYP3A4

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 CYP11B1 295/4885CYP11B2 261/4885CYP2A6 158/4885

“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.