SCHEMBL316382

SCHEMBL316382

Cc1cnccc1-c1cncc(O[C@@H]2SC[C@@H](O)[C@H](O)[C@H]2O)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
CYP19A1 P11511 1/20 0.32
DYRK1A Q13627 2/20 0.32
PIP4K2A P48426 1/20 0.31
PIP4K2C Q8TBX8 1/20 0.31
S1PR1 P21453 1/20 0.31
MMP13 P45452 1/20 0.31
CHEK1 O14757 1/20 0.31
RPS6KA5 O75582 1/20 0.31
MAP4K4 O95819 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
SCHEMBL316383 1.00 ABL1 (0.34) ABL1CCNCCDK8CHRNB1CHRNB2
SCHEMBL314359 0.91 CYP11B2 (0.38) ABL1CYP11B1CYP11B2SLC22A12DYRK1A
SCHEMBL314358 0.91 CYP11B2 (0.38) ABL1CYP11B1CYP11B2SLC22A12DYRK1A
SCHEMBL314847 0.87 ABL1 (0.34) ABL1CCNCCDK8CHRNB1CHRNB2
SCHEMBL314846 0.87 ABL1 (0.34) ABL1CCNCCDK8CHRNB1CHRNB2
SCHEMBL2140020 0.86 GRM5 (0.38) ABL1CYP11B1CYP11B2
SCHEMBL2140015 0.86 GRM5 (0.38) ABL1CYP11B1CYP11B2
SCHEMBL315883 0.85 ABL1 (0.38) ABL1CHRNB2CHRNB4CHRNA3CYP11B1
SCHEMBL315882 0.85 ABL1 (0.38) ABL1CHRNB2CHRNB4CHRNA3CYP11B1
SCHEMBL2142486 0.85 CYP11B1 (0.46) CHRNB4CHRNA3CYP11B1CYP11B2

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 5 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
EP-2066683-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER SA (FR) 2009-06-10 EP disclosed
WO-2008037922-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER S.A. (FR) 2008-04-03 WO 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 ABL1 1574/4885CCNC 3318/4885CDK8 1417/4885

“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.