SCHEMBL315496

SCHEMBL315496

O[C@@H]1[C@@H](O)[C@H](Oc2ccnc(-c3ccncc3)c2)SC[C@H]1O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.34
LRRK2 Q5S007 1/20 0.32
ADORA3 P0DMS8 2/20 0.31
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 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
SCHEMBL315497 1.00 MAPKAPK2 (0.34) MAPKAPK2LRRK2ADORA3CCR1CCR5
SCHEMBL2138214 0.87 MAPKAPK2 (0.40) MAPKAPK2CCR1CCR5CCR8
SCHEMBL2138220 0.87 MAPKAPK2 (0.40) MAPKAPK2CCR1CCR5CCR8
SCHEMBL316200 0.86 LOXL2 (0.42) MAPKAPK2LRRK2ADORA3
SCHEMBL316201 0.86 LOXL2 (0.42) MAPKAPK2LRRK2ADORA3
SCHEMBL1973756 0.84 ADORA3 (0.34) ADORA3
SCHEMBL314302 0.83 SYK (0.34) ADORA3
SCHEMBL314301 0.83 SYK (0.34) ADORA3
SCHEMBL314277 0.82 CYP11B1 (0.35) ADORA3
SCHEMBL314276 0.82 CYP11B1 (0.35) ADORA3

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 MAPKAPK2 3395/4885LRRK2 3889/4885ADORA3 2499/4885

“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.