SCHEMBL314401

SCHEMBL314401

O[C@@H]1[C@@H](O)[C@H](Oc2cccnc2-c2ccco2)SC[C@H]1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.35
ADORA2A P29274 4/20 0.35
ADORA1 P30542 2/20 0.35
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN11 Q06124 1/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.33
CASP1 P29466 2/20 0.33
PTPN7 P35236 2/20 0.33
RECQL P46063 2/20 0.33
BLM P54132 2/20 0.33
CASP7 P55210 2/20 0.33

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
SCHEMBL314402 1.00 ADORA3 (0.35) ADORA3ADORA2AADORA1PTPN2PTPN1
SCHEMBL314634 0.82 ADORA2A (0.32) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL314633 0.82 ADORA2A (0.32) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL316054 0.81 ADRA1D (0.34) ADORA3PTPN1PTPN6PTPN11ADRA1A
SCHEMBL316053 0.81 ADRA1D (0.34) ADORA3PTPN1PTPN6PTPN11ADRA1A
SCHEMBL2142958 0.81 CYP11B1 (0.36) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL2142950 0.81 CYP11B1 (0.36) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL314294 0.80 PDE10A (0.33) ADORA3
SCHEMBL314295 0.80 PDE10A (0.33) ADORA3
SCHEMBL315590 0.80 CYP11B1 (0.40) KDM4EALDH1A1MEN1HPGDKMT2A

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 ADORA3 2499/4885ADORA2A 1894/4885ADORA1 1940/4885

“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.