SCHEMBL316661

SCHEMBL316661

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cnccc1-c1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.36
MKNK2 Q9HBH9 4/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
ABCB1 P08183 1/20 0.34
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
CYP19A1 P11511 3/20 0.33
CHRNA1 P02708 2/20 0.33
CHRNG P07510 2/20 0.33
CHRNB1 P11230 2/20 0.33
CHRNA7 P36544 2/20 0.33
CHRND Q07001 2/20 0.33
KCNH2 Q12809 2/20 0.33
ADRA2A P08913 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
SCHEMBL316662 1.00 MKNK1 (0.36) MKNK1MKNK2CYP3A4CYP2A6CYP2C9
SCHEMBL2410997 0.92 CHRNB4 (0.42) MKNK1MKNK2CYP3A4CYP2A6CYP2C9
SCHEMBL2411000 0.92 CHRNB4 (0.42) MKNK1MKNK2CYP3A4CYP2A6CYP2C9
SCHEMBL314690 0.91 SLC22A12 (0.32) SLC22A12
SCHEMBL314689 0.91 SLC22A12 (0.32) SLC22A12
SCHEMBL2141893 0.88 CACNA1B (0.38) SLC22A12CYP11B2
SCHEMBL2141887 0.88 CACNA1B (0.38) SLC22A12CYP11B2
SCHEMBL2410658 0.87 CYP11B1 (0.41) MKNK1MKNK2CYP3A4CYP2C19CYP11B1
SCHEMBL2410652 0.87 CYP11B1 (0.41) MKNK1MKNK2CYP3A4CYP2C19CYP11B1
SCHEMBL2139628 0.87 SLC22A12 (0.39) CYP2C9CYP2C19SLC22A12ALDH1A1

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 3726/4885CYP3A4 126/4885

“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.