SCHEMBL315759

SCHEMBL315759

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
CYP2A6 P11509 2/20 0.36
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PTGS2 P35354 1/20 0.33
MKNK1 Q9BUB5 3/20 0.32
MKNK2 Q9HBH9 3/20 0.32
CHRNB4 P30926 3/20 0.32
CHRNA3 P32297 3/20 0.32
CHRNA1 P02708 2/20 0.32
CHRNG P07510 2/20 0.32
CHRNB1 P11230 2/20 0.32
CHRNA7 P36544 2/20 0.32
CHRND Q07001 2/20 0.32
KCNH2 Q12809 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 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
SCHEMBL315758 1.00 CYP11B1 (0.37) CYP11B1CYP11B2CYP2A6CYP3A4CYP2C9
SCHEMBL316756 0.93 KDM4E (0.32) CYP2C9CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL316757 0.93 KDM4E (0.32) CYP2C9CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL2142546 0.91 KDM4E (0.34) CYP11B1CYP11B2CYP2C9CYP2C19ALDH1A1
SCHEMBL2142538 0.91 KDM4E (0.34) CYP11B1CYP11B2CYP2C9CYP2C19ALDH1A1
SCHEMBL315596 0.90 CYP11B1 (0.35) CYP11B1CYP11B2CYP2C9CYP2C19ALDH1A1
SCHEMBL315595 0.90 CYP11B1 (0.35) CYP11B1CYP11B2CYP2C9CYP2C19ALDH1A1
SCHEMBL2410997 0.89 CHRNB4 (0.42) CYP11B1CYP11B2CYP2A6CYP3A4CYP2C9
SCHEMBL2411000 0.89 CHRNB4 (0.42) CYP11B1CYP11B2CYP2A6CYP3A4CYP2C9
SCHEMBL316525 0.87 CYP2A6 (0.34) CYP11B1CYP11B2CYP2A6CYP3A4CYP2C9

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 3 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

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.