SCHEMBL314932

SCHEMBL314932

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccc(-c2ccnc(Cl)c2)nc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.33
CYP3A4 P08684 1/20 0.31
ROCK1 Q13464 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
IDO1 P14902 1/20 0.31
CDC7 O00311 1/20 0.30
ROCK2 O75116 1/20 0.30
MAP4K4 O95819 1/20 0.30
CDK2 P24941 1/20 0.30
MAPKAPK2 P49137 1/20 0.30
GSK3B P49841 1/20 0.30
HIPK2 Q9H2X6 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
PARP10 Q53GL7 1/20 0.30
PARP11 Q9NR21 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
SCHEMBL3397446 1.00 AAK1 (0.33) AAK1CYP3A4ROCK1CYP4F2CYP4A11
SCHEMBL314456 0.89 ROCK2 (0.36) AAK1CYP3A4ROCK1CYP4F2CYP4A11
SCHEMBL3395493 0.89 ROCK2 (0.36) AAK1CYP3A4ROCK1CYP4F2CYP4A11
SCHEMBL315023 0.87 NAAA (0.33) CYP4F2CYP4A11
SCHEMBL3398167 0.87 NAAA (0.33) CYP4F2CYP4A11
SCHEMBL315134 0.87 CHRNA7 (0.33) CYP4F2CYP4A11ROCK2
SCHEMBL315133 0.87 CHRNA7 (0.33) CYP4F2CYP4A11ROCK2
SCHEMBL3395501 0.85 PTGES (0.31) CYP4F2CYP4A11
SCHEMBL314799 0.85 PTGES (0.31) CYP4F2CYP4A11
SCHEMBL3400544 0.85 PIK3C3 (0.33) CYP3A4ROCK1GSK3BCCNCCDK8

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 AAK1 3619/4885CYP3A4 126/4885ROCK1 3201/4885

“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.