SCHEMBL315589

SCHEMBL315589

O[C@@H]1[C@@H](O)[C@H](Oc2cccnc2-c2ccncc2)SC[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.32
MAPK14 Q16539 1/20 0.31

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
SCHEMBL315590 1.00 CYP11B1 (0.40) CYP11B1CYP11B2KDM4EMEN1ALDH1A1
SCHEMBL2142958 0.91 CYP11B1 (0.36) CYP11B1CYP11B2KDM4EMEN1ALDH1A1
SCHEMBL2142950 0.91 CYP11B1 (0.36) CYP11B1CYP11B2KDM4EMEN1ALDH1A1
SCHEMBL2141276 0.89 CACNA1B (0.35) CYP11B1CYP11B2KDM4EMEN1ALDH1A1
SCHEMBL2141281 0.89 CACNA1B (0.35) CYP11B1CYP11B2KDM4EMEN1ALDH1A1
SCHEMBL314864 0.88 CYP11B1 (0.43) CYP11B1CYP11B2ALDH1A1CYP1A2
SCHEMBL314295 0.88 PDE10A (0.33) CYP11B1CYP11B2
SCHEMBL314863 0.88 CYP11B1 (0.43) CYP11B1CYP11B2ALDH1A1CYP1A2
SCHEMBL314294 0.88 PDE10A (0.33) CYP11B1CYP11B2
SCHEMBL2142381 0.86 KDM4E (0.47) KDM4EMEN1ALDH1A1HPGDKMT2A

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 261/4885KDM4E 1220/4885

“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.