SCHEMBL316055

SCHEMBL316055

COc1cncc(-c2ccc(O[C@@H]3SC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cn2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CYP11B1 P15538 7/20 0.34
CYP11B2 P19099 7/20 0.34
RXFP1 Q9HBX9 1/20 0.33
CYP1A2 P05177 4/20 0.33
PIK3CG P48736 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CYP3A4 P08684 4/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 1/20 0.32
PDE10A Q9Y233 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
SYK P43405 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
ADORA2A P29274 1/20 0.31

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
SCHEMBL3393927 1.00 FYN (0.36) FYNMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL314889 0.90 CHRNA7 (0.33)
SCHEMBL3399341 0.90 CHRNA7 (0.33)
SCHEMBL2138931 0.89 RXFP1 (0.44) RXFP1GABRA1GABRB2CYP2C9CYP2C19
SCHEMBL5275422 0.89 RXFP1 (0.44) RXFP1GABRA1GABRB2CYP2C9CYP2C19
SCHEMBL315697 0.89 ABL1 (0.33) CYP11B1CYP11B2PIK3CG
SCHEMBL3395494 0.89 ABL1 (0.33) CYP11B1CYP11B2PIK3CG
SCHEMBL3395501 0.89 PTGES (0.31) MKNK1MKNK2
SCHEMBL314799 0.89 PTGES (0.31) MKNK1MKNK2
SCHEMBL314638 0.88 CHRNA7 (0.32) RXFP1

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 FYN 425/4885MKNK1 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.