SCHEMBL314456

SCHEMBL314456

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.36
PRKG1 Q13976 2/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
AKT1 P31749 1/20 0.36
WNT3A P56704 2/20 0.34
PDE10A Q9Y233 1/20 0.32
AAK1 Q2M2I8 3/20 0.31
CYP3A4 P08684 1/20 0.31
ROCK1 Q13464 1/20 0.31
MAP4K4 O95819 1/20 0.31
MINK1 Q8N4C8 1/20 0.31
TNIK Q9UKE5 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
IDO1 P14902 1/20 0.31
PARP10 Q53GL7 1/20 0.30
PARP11 Q9NR21 1/20 0.30
BACE1 P56817 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
SCHEMBL3395493 1.00 ROCK2 (0.36) ROCK2PRKG1PRKACAPRKACGPRKACB
SCHEMBL314932 0.89 AAK1 (0.33) ROCK2AAK1CYP3A4ROCK1MAP4K4
SCHEMBL3397446 0.89 AAK1 (0.33) ROCK2AAK1CYP3A4ROCK1MAP4K4
SCHEMBL315460 0.87 CHRNA7 (0.32) CYP3A4CYP4F2CYP4A11
SCHEMBL3401000 0.87 CHRNA7 (0.32) CYP3A4CYP4F2CYP4A11
SCHEMBL315134 0.87 CHRNA7 (0.33) ROCK2PRKG1WNT3ACYP4F2CYP4A11
SCHEMBL315133 0.87 CHRNA7 (0.33) ROCK2PRKG1WNT3ACYP4F2CYP4A11
SCHEMBL314511 0.87 WNT3A (0.34) WNT3APDE10APARP10PARP11
SCHEMBL314512 0.87 WNT3A (0.34) WNT3APDE10APARP10PARP11
SCHEMBL314314 0.85 MAP4K4 (0.33) AAK1CYP3A4ROCK1MAP4K4MINK1

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 ROCK2 3269/4885PRKG1 2278/4885PRKACA 3547/4885

“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.