SCHEMBL314831

SCHEMBL314831

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cncc(-c2ccnc(Cl)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 3/20 0.33
GRM5 P41594 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP3A4 P08684 1/20 0.30
PRKACA P17612 1/20 0.30
ROCK1 Q13464 1/20 0.30
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
CYP11B2 P19099 2/20 0.30
CYP11B1 P15538 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 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
SCHEMBL3400544 1.00 PIK3C3 (0.33) PIK3C3GRM5CYP1A2CYP19A1CYP3A4
SCHEMBL3393977 0.89 PIK3C3 (0.31) PIK3C3GRM5CYP3A4PRKACAROCK1
SCHEMBL314743 0.89 PIK3C3 (0.31) PIK3C3GRM5CYP3A4PRKACAROCK1
SCHEMBL314632 0.88 MKNK1 (0.34) CYP11B2CYP11B1
SCHEMBL314631 0.88 MKNK1 (0.34) CYP11B2CYP11B1
SCHEMBL3399023 0.88 CYP11B2 (0.32) CYP11B2CYP11B1GSK3BDYRK1A
SCHEMBL316078 0.88 CYP11B2 (0.32) CYP11B2CYP11B1GSK3BDYRK1A
SCHEMBL3400456 0.86 MKNK1 (0.33) CYP11B2
SCHEMBL315665 0.86 MKNK1 (0.33) CYP11B2
SCHEMBL314932 0.85 AAK1 (0.33) CYP3A4ROCK1CCNCCDK8GSK3B

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 3 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

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 PIK3C3 2868/4885GRM5 1127/4885CYP1A2 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.