SCHEMBL314672

SCHEMBL314672

N#Cc1ccc(-c2cncc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.33
CYP11B2 P19099 5/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN2B Q13224 1/20 0.32
PDE10A Q9Y233 1/20 0.32
CTSA P10619 1/20 0.32
PIK3CD O00329 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
PIK3CA P42336 1/20 0.31
TRPA1 O75762 1/20 0.31
CHEK1 O14757 4/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNB3 Q05901 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
SCHEMBL314673 1.00 CYP11B1 (0.33) CYP11B1CYP11B2KCNH2GRIN2BPDE10A
SCHEMBL2413294 0.87 CTSA (0.38) KCNH2PDE10ACTSAIRAK4PIK3CA
SCHEMBL2413292 0.87 CTSA (0.38) KCNH2PDE10ACTSAIRAK4PIK3CA
SCHEMBL1973490 0.85 PDE10A (0.31) PDE10A
SCHEMBL1973488 0.85 PDE10A (0.31) PDE10A
SCHEMBL2140641 0.85 CYP11B1 (0.42) CYP11B1CYP11B2
SCHEMBL2140636 0.85 CYP11B1 (0.42) CYP11B1CYP11B2
SCHEMBL314606 0.83 CYP11B1 (0.36) CYP11B1CYP11B2CHRNB1CHRNB2CHRNB4
SCHEMBL315644 0.83 CYP2A6 (0.37) PIK3CDCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL314605 0.83 CYP11B1 (0.36) CYP11B1CYP11B2CHRNB1CHRNB2CHRNB4

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 CYP11B1 295/4885CYP11B2 261/4885KCNH2 3288/4885

“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.