SCHEMBL315164

SCHEMBL315164

O[C@@H]1[C@@H](O)[C@@H](Oc2cncc(-c3ncccc3Cl)c2)SC[C@H]1O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.34
ADORA3 P0DMS8 4/20 0.32
CYP1A2 P05177 1/20 0.30
GRM5 P41594 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
SCHEMBL315163 1.00 CNR2 (0.34) CNR2ADORA3CYP1A2GRM5
SCHEMBL314586 0.87 CYP2A6 (0.41) CNR2
SCHEMBL314587 0.87 CYP2A6 (0.41) CNR2
SCHEMBL2413525 0.87 RORB (0.37) CNR2ADORA3
SCHEMBL2413531 0.87 RORB (0.37) CNR2ADORA3
SCHEMBL316723 0.85 CTSA (0.31) CYP1A2GRM5
SCHEMBL316724 0.85 CTSA (0.31) CYP1A2GRM5
SCHEMBL314682 0.83 DGAT2 (0.32)
SCHEMBL314681 0.83 DGAT2 (0.32)
SCHEMBL315253 0.82 CHRNB1 (0.40) CYP1A2

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 CNR2 2597/4885ADORA3 2499/4885CYP1A2 111/4885

“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.