SCHEMBL313944

SCHEMBL313944

COc1ncccc1-c1cncc(O[C@H]2SC[C@@H](O)[C@H](O)[C@H]2O)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.41
PDE10A Q9Y233 2/20 0.39
CHEK1 O14757 1/20 0.38
NAAA Q02083 1/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 1/20 0.34
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
HSP90AA1 P07900 1/20 0.33
DHODH Q02127 1/20 0.33
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
DHFR P00374 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32

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
SCHEMBL313943 1.00 ABL1 (0.41) ABL1PDE10ACHEK1NAAAALOX5AP
SCHEMBL2411516 0.88 DHFR (0.37) PDE10ANAAAALOX5APFEN1DHODH
SCHEMBL2411520 0.88 DHFR (0.37) PDE10ANAAAALOX5APFEN1DHODH
SCHEMBL315038 0.88 ABL1 (0.35) ABL1PDE10ACHRNB4CHRNA3HSP90AA1
SCHEMBL315039 0.88 ABL1 (0.35) ABL1PDE10ACHRNB4CHRNA3HSP90AA1
SCHEMBL315438 0.85 CHRNB2 (0.39) ABL1
SCHEMBL315437 0.85 CHRNB2 (0.39) ABL1
SCHEMBL316724 0.85 CTSA (0.31)
SCHEMBL316723 0.85 CTSA (0.31)
SCHEMBL2141417 0.85 CHRNB4 (0.41) ABL1CHRNB4CHRNA3

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 4 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
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 1574/4885PDE10A 1836/4885CHEK1 4839/4885

“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.