SCHEMBL314632

SCHEMBL314632

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cncc(-c3ccncc3)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
MAP4K4 O95819 1/20 0.32
CYP11B2 P19099 2/20 0.31
CYP11B1 P15538 1/20 0.31
XDH P47989 1/20 0.30
PIK3CG P48736 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
SCHEMBL314631 1.00 MKNK1 (0.34) MKNK1MKNK2MAP4K4CYP11B2CYP11B1
SCHEMBL2139089 0.92 CHRNB2 (0.36) MKNK1MKNK2MAP4K4CYP11B2CYP11B1
SCHEMBL2139085 0.92 CHRNB2 (0.36) MKNK1MKNK2MAP4K4CYP11B2CYP11B1
SCHEMBL2141249 0.91 XDH (0.38) MKNK1MKNK2MAP4K4CYP11B2CYP11B1
SCHEMBL2141252 0.91 XDH (0.38) MKNK1MKNK2MAP4K4CYP11B2CYP11B1
SCHEMBL316063 0.90 CHRNB1 (0.34) MKNK1MKNK2CYP11B2CYP11B1
SCHEMBL316064 0.90 CHRNB1 (0.34) MKNK1MKNK2CYP11B2CYP11B1
SCHEMBL2142952 0.90 MAP4K4 (0.42) MKNK1MKNK2MAP4K4CYP11B2CYP11B1
SCHEMBL315649 0.90 CHRNB1 (0.37) MKNK1MKNK2CYP11B2CYP11B1
SCHEMBL315650 0.90 CHRNB1 (0.37) MKNK1MKNK2CYP11B2CYP11B1

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 MKNK1 3785/4885MKNK2 3726/4885MAP4K4 4447/4885

“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.