SCHEMBL314823

SCHEMBL314823

COc1ncccc1-c1ccc(O[C@H]2SC[C@@H](O)[C@H](O)[C@H]2O)cn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.36
MTOR P42345 1/20 0.35
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
BTK Q06187 1/20 0.32
CHRNA7 P36544 1/20 0.31
ADORA3 P0DMS8 2/20 0.31
PCSK9 Q8NBP7 1/20 0.31
BMPR1B O00238 1/20 0.31
BMPR1A P36894 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 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
SCHEMBL314822 1.00 PDE10A (0.36) PDE10AMTORALOX5APFEN1PDE1A
SCHEMBL316741 0.87 KCNH2 (0.33) BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL316742 0.87 KCNH2 (0.33) BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL315361 0.85 BMPR1B (0.32) BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL315360 0.85 BMPR1B (0.32) BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL315693 0.85 MAPT (0.32) MTORBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL315692 0.85 MAPT (0.32) MTORBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL316369 0.82 SCN9A (0.36) PDE10AALOX5APFEN1PDE1APDE1B
SCHEMBL316368 0.82 SCN9A (0.36) PDE10AALOX5APFEN1PDE1APDE1B
SCHEMBL313943 0.81 ABL1 (0.41) PDE10AALOX5APFEN1

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 PDE10A 1836/4885MTOR 1560/4885ALOX5AP 17/4885

“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.