SCHEMBL316741

SCHEMBL316741

Cc1ncccc1-c1ccc(O[C@@H]2SC[C@@H](O)[C@H](O)[C@H]2O)cn1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.33
BMPR1B O00238 2/20 0.32
BMPR1A P36894 2/20 0.32
ACVRL1 P37023 2/20 0.32
ACVR1 Q04771 2/20 0.32
FFAR1 O14842 1/20 0.30
ABL1 P00519 1/20 0.30

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
SCHEMBL316742 1.00 KCNH2 (0.33) KCNH2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL315693 0.89 MAPT (0.32) KCNH2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL315692 0.89 MAPT (0.32) KCNH2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL314822 0.87 PDE10A (0.36) BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL314823 0.87 PDE10A (0.36) BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL315361 0.87 BMPR1B (0.32) BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL315360 0.87 BMPR1B (0.32) BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL3994997 0.82
SCHEMBL1973288 0.81 CHRM4 (0.35)
SCHEMBL1973290 0.81 CHRM4 (0.35)

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 KCNH2 3288/4885BMPR1B 4632/4885BMPR1A 4697/4885

“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.