SCHEMBL316078

SCHEMBL316078

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cncc(-c2ccc(Cl)nc2)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.32
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP11B1 P15538 1/20 0.31
F2R P25116 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
INPPL1 O15357 2/20 0.30
PIK3CG P48736 1/20 0.30
KDR P35968 1/20 0.30
ETV6 P41212 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNB3 Q05901 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
SCHEMBL3399023 1.00 CYP11B2 (0.32) CYP11B2MKNK1MKNK2CYP2A6CYP11B1
SCHEMBL2410640 0.89 F2R (0.37) CYP2A6F2R
SCHEMBL2410638 0.89 F2R (0.37) CYP2A6F2R
SCHEMBL314556 0.89 CYP11B2 (0.32) CYP11B2MKNK1MKNK2CYP11B1F2R
SCHEMBL3397066 0.89 CYP11B2 (0.32) CYP11B2MKNK1MKNK2CYP11B1F2R
SCHEMBL314831 0.88 PIK3C3 (0.33) CYP11B2CYP11B1GSK3BDYRK1A
SCHEMBL314909 0.88 MKNK1 (0.36) CYP11B2MKNK1MKNK2CYP2A6CYP11B1
SCHEMBL3400544 0.88 PIK3C3 (0.33) CYP11B2CYP11B1GSK3BDYRK1A
SCHEMBL3401178 0.88 MKNK1 (0.36) CYP11B2MKNK1MKNK2CYP2A6CYP11B1
SCHEMBL3400456 0.87 MKNK1 (0.33) CYP11B2MKNK1MKNK2CHRNB2

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 CYP11B2 261/4885MKNK1 3785/4885MKNK2 3726/4885

“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.