SCHEMBL315871

SCHEMBL315871

O[C@@H]1[C@@H](O)[C@H](Oc2cncc(-c3cncc(Cl)c3)c2)SC[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 1/20 0.36
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
CYP11B2 P19099 2/20 0.31
GRM5 P41594 1/20 0.31
GRIN1 Q05586 2/20 0.30
GRIN2B Q13224 2/20 0.30
FGFR1 P11362 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNB3 Q05901 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
SCHEMBL315872 1.00 CHRNB2 (0.36) CHRNB2CHRNA4MKNK1MKNK2CYP11B2
SCHEMBL1973086 0.92 CHRNB2 (0.42) CHRNB2CHRNA4GRM5GRIN1GRIN2B
SCHEMBL1973087 0.92 CHRNB2 (0.42) CHRNB2CHRNA4GRM5GRIN1GRIN2B
SCHEMBL2142301 0.90 CHRNB2 (0.40) CHRNB2CHRNA4MKNK1MKNK2CHRNB1
SCHEMBL2142297 0.90 CHRNB2 (0.40) CHRNB2CHRNA4MKNK1MKNK2CHRNB1
SCHEMBL2409275 0.89 BACE1 (0.35) MKNK1MKNK2FGFR1
SCHEMBL2409280 0.89 BACE1 (0.35) MKNK1MKNK2FGFR1
SCHEMBL314972 0.87 CHRNB1 (0.36) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL314973 0.87 CHRNB1 (0.36) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL315032 0.86 CYP1A1 (0.41) CHRNB2CHRNA4MKNK1MKNK2CYP11B2

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 CHRNB2 4851/4885CHRNA4 4836/4885MKNK1 3785/4885

“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.