SCHEMBL314721

SCHEMBL314721

Cc1cncc(-c2cncc(O[C@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.35
CYP11B2 P19099 2/20 0.31
PIK3CG P48736 1/20 0.31
S1PR1 P21453 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 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
SCHEMBL314720 1.00 CYP2A6 (0.35) CYP2A6CYP11B2PIK3CGS1PR1CHRNB1
SCHEMBL1973789 0.92 CHRNB1 (0.34) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL1973787 0.92 CHRNB1 (0.34) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL2142250 0.90 CHRNB1 (0.41) CYP11B2PIK3CGCHRNB1CHRNB2CHRNB4
SCHEMBL2142244 0.90 CHRNB1 (0.41) CYP11B2PIK3CGCHRNB1CHRNB2CHRNB4
SCHEMBL2417047 0.89 S1PR1 (0.39) CYP2A6CYP11B2PIK3CGS1PR1CHRNB1
SCHEMBL2417043 0.89 S1PR1 (0.39) CYP2A6CYP11B2PIK3CGS1PR1CHRNB1
SCHEMBL315032 0.88 CYP1A1 (0.41) CYP11B2PIK3CGCHRNB2CHRNB4CHRNA3
SCHEMBL315031 0.88 CYP1A1 (0.41) CYP11B2PIK3CGCHRNB2CHRNB4CHRNA3
SCHEMBL314973 0.87 CHRNB1 (0.36) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3

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 158/4885CYP11B2 261/4885PIK3CG 1601/4885

“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.