SCHEMBL315039

SCHEMBL315039

Cc1ncccc1-c1cncc(O[C@H]2SC[C@@H](O)[C@H](O)[C@H]2O)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.35
CHRNB2 P17787 4/20 0.33
CHRNB4 P30926 4/20 0.33
CHRNA3 P32297 4/20 0.33
CHRNB1 P11230 3/20 0.33
CHRNB3 Q05901 3/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
PDE10A Q9Y233 2/20 0.31
CHRNA6 Q15825 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PIP4K2A P48426 1/20 0.31
PIP4K2C Q8TBX8 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
SCHEMBL315038 1.00 ABL1 (0.35) ABL1CHRNB2CHRNB4CHRNA3CHRNB1
SCHEMBL315438 0.89 CHRNB2 (0.39) ABL1CHRNB2CHRNA6
SCHEMBL315437 0.89 CHRNB2 (0.39) ABL1CHRNB2CHRNA6
SCHEMBL313944 0.88 ABL1 (0.41) ABL1CHRNB4CHRNA3PDE10AHSP90AA1
SCHEMBL313943 0.88 ABL1 (0.41) ABL1CHRNB4CHRNA3PDE10AHSP90AA1
SCHEMBL316723 0.87 CTSA (0.31)
SCHEMBL316724 0.87 CTSA (0.31)
SCHEMBL2409219 0.87 ABL1 (0.36) ABL1MKNK1MKNK2PDE10A
SCHEMBL2409220 0.87 ABL1 (0.36) ABL1MKNK1MKNK2PDE10A
SCHEMBL314586 0.85 CYP2A6 (0.41) ABL1CHRNB2CHRNB4CHRNA3CHRNB1

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 ABL1 1574/4885CHRNB2 4851/4885CHRNB4 4868/4885

“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.