SCHEMBL314587

SCHEMBL314587

Cc1cccnc1-c1cncc(O[C@H]2SC[C@@H](O)[C@H](O)[C@H]2O)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
ABL1 P00519 2/20 0.35
CNR2 P34972 1/20 0.34
HRH3 Q9Y5N1 1/20 0.32
CHRNB1 P11230 2/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
CHRNB3 Q05901 2/20 0.31
SMO Q99835 2/20 0.31
PDE10A Q9Y233 1/20 0.31
GCK P35557 2/20 0.30
GRIA2 P42262 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL314586 1.00 CYP2A6 (0.41) CYP2A6ABL1CNR2HRH3CHRNB1
SCHEMBL315163 0.87 CNR2 (0.34) CNR2
SCHEMBL315164 0.87 CNR2 (0.34) CNR2
SCHEMBL2408740 0.87 CYP2A6 (0.37) CYP2A6ABL1CNR2PDE10AGCK
SCHEMBL2408742 0.87 CYP2A6 (0.37) CYP2A6ABL1CNR2PDE10AGCK
SCHEMBL315039 0.85 ABL1 (0.35) ABL1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL315038 0.85 ABL1 (0.35) ABL1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL314681 0.83 DGAT2 (0.32) CYP2A6
SCHEMBL314682 0.83 DGAT2 (0.32) CYP2A6
SCHEMBL315253 0.82 CHRNB1 (0.40) CYP2A6CHRNB1CHRNB2CHRNB4CHRNA3

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 158/4885ABL1 1574/4885CNR2 2597/4885

“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.