SCHEMBL2413294

SCHEMBL2413294

N#Cc1ccc(-c2cccc(O[C@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.38
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 3/20 0.35
SLC6A4 P31645 2/20 0.35
KCNH2 Q12809 2/20 0.35
JAK2 O60674 1/20 0.35
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
CHEK1 O14757 2/20 0.33
EGLN2 Q96KS0 1/20 0.33
PDE10A Q9Y233 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.31
PIK3CA P42336 1/20 0.31
TRPA1 O75762 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
SCHEMBL2413292 1.00 CTSA (0.38) CTSASLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL314673 0.87 CYP11B1 (0.33) CTSAKCNH2IRAK4CHEK1PDE10A
SCHEMBL314672 0.87 CYP11B1 (0.33) CTSAKCNH2IRAK4CHEK1PDE10A
SCHEMBL1973488 0.85 PDE10A (0.31) PDE10AADORA3
SCHEMBL1973490 0.85 PDE10A (0.31) PDE10AADORA3
SCHEMBL2409698 0.84 HSD17B1 (0.33) ADORA3
SCHEMBL2409694 0.84 HSD17B1 (0.33) ADORA3
SCHEMBL2417950 0.83 GRM5 (0.36) ADORA3
SCHEMBL2417948 0.83 GRM5 (0.36) ADORA3
SCHEMBL2413305 0.83 NPC1 (0.38) KCNH2CPT2CPT1AADORA3

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-8013010-B2 5-thioxylopyranose compounds LABORATOIRES FOURNIER S.A. (FR) 2011-09-06 US disclosed
US-20090186840-A1 5-Thioxylopyranose Compounds LABORATOIRES FOURNIER S.A (FR) 2009-07-23 US disclosed
EP-2066681-A1 NEW DERIVATIVES OF 5-THIOXILOPYRANOSE LABORATOIRES FOURNIER SA (FR) 2009-06-10 EP disclosed
WO-2008037923-A1 NEW DERIVATIVES OF 5-THIOXILOPYRANOSE 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-20090186840-A1 5-Thioxylopyranose Compounds TPMT, PNPO, CYP3A5 CTSA 3358/4885SLC6A2 4369/4885SLC6A3 4041/4885

“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.