SCHEMBL316292

SCHEMBL316292

Cc1ccnc(-c2cccnc2)c1O[C@@H]1SC[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.42
CYP3A4 P08684 3/20 0.35
CYP2E1 P05181 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2B6 P20813 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
TDO2 P48775 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
PDE10A Q9Y233 1/20 0.31
MAOA P21397 1/20 0.31
CDC7 O00311 1/20 0.31
DBF4 Q9UBU7 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 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
SCHEMBL316293 1.00 CYP2A6 (0.42) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL315467 0.82 ADORA3 (0.31) TDO2ADORA3
SCHEMBL315468 0.82 ADORA3 (0.31) TDO2ADORA3
SCHEMBL314864 0.82 CYP11B1 (0.43) CYP2A6CYP3A4ALDH1A1PDE10AADORA3
SCHEMBL314863 0.82 CYP11B1 (0.43) CYP2A6CYP3A4ALDH1A1PDE10AADORA3
SCHEMBL2143257 0.81 ALDH1A1 (0.38) KDM4EALDH1A1MAPTPTGS2
SCHEMBL2143265 0.81 ALDH1A1 (0.38) KDM4EALDH1A1MAPTPTGS2
SCHEMBL314568 0.78 CYP2A6 (0.36) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL314567 0.78 CYP2A6 (0.36) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL2409988 0.78 CYP2A6 (0.36) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9

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 CYP2A6 158/4885CYP3A4 126/4885CYP2E1 162/4885

“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.