SCHEMBL316434

SCHEMBL316434

COc1cncc(-c2cncc(O[C@@H]3SC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
CYP11B2 P19099 10/20 0.38
CYP11B1 P15538 8/20 0.38
CYP1A2 P05177 5/20 0.37
PIK3CG P48736 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 1/20 0.37
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
PIK3CA P42336 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL3399894 1.00 MKNK1 (0.40) MKNK1MKNK2CYP11B2CYP11B1CYP1A2
SCHEMBL2142952 0.94 MAP4K4 (0.42) MKNK1MKNK2CYP11B2CYP11B1CYP1A2
SCHEMBL316064 0.92 CHRNB1 (0.34) MKNK1MKNK2CYP11B2CYP11B1CHRNB2
SCHEMBL316063 0.92 CHRNB1 (0.34) MKNK1MKNK2CYP11B2CYP11B1CHRNB2
SCHEMBL2412501 0.92 CYP11B1 (0.39) MKNK1MKNK2CYP11B2CYP11B1CYP1A2
SCHEMBL2141882 0.92 CYP11B1 (0.39) MKNK1MKNK2CYP11B2CYP11B1CYP1A2
SCHEMBL5285848 0.92 CYP11B1 (0.39) MKNK1MKNK2CYP11B2CYP11B1CYP1A2
SCHEMBL2412498 0.92 CYP11B1 (0.39) MKNK1MKNK2CYP11B2CYP11B1CYP1A2
SCHEMBL3396980 0.91 CYP11B2 (0.33) MKNK1MKNK2CYP11B2CYP11B1CYP1A2
SCHEMBL314004 0.91 CYP11B2 (0.33) MKNK1MKNK2CYP11B2CYP11B1CYP1A2

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 3726/4885CYP11B2 261/4885

“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.