SCHEMBL314846

SCHEMBL314846

O[C@@H]1[C@@H](O)[C@H](Oc2cncc(-c3ccncc3Cl)c2)SC[C@H]1O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
GRM5 P41594 3/20 0.32
USP30 Q70CQ3 2/20 0.32
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
CTSA P10619 1/20 0.31
LATS1 O95835 1/20 0.30
LATS2 Q9NRM7 1/20 0.30
MCHR1 Q99705 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
SCHEMBL314847 1.00 ABL1 (0.34) ABL1CCNCCDK8GRM5USP30
SCHEMBL2410309 0.88 GRM5 (0.37) ABL1CCNCCDK8GRM5CTSA
SCHEMBL2410312 0.88 GRM5 (0.37) ABL1CCNCCDK8GRM5CTSA
SCHEMBL316382 0.87 ABL1 (0.34) ABL1CCNCCDK8CHRNB1CHRNB2
SCHEMBL316383 0.87 ABL1 (0.34) ABL1CCNCCDK8CHRNB1CHRNB2
SCHEMBL2142889 0.86 CHRNB1 (0.35) GRM5CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL2142886 0.86 CHRNB1 (0.35) GRM5CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL2140651 0.85 CHRNB1 (0.36) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL2140645 0.85 CHRNB1 (0.36) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL314359 0.84 CYP11B2 (0.38) ABL1GRM5

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 1574/4885CCNC 3318/4885CDK8 1417/4885

“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.