SCHEMBL314938

SCHEMBL314938

O[C@@H]1[C@@H](O)[C@H](Oc2cccnc2-c2cc3ccccc3o2)SC[C@H]1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.37
GRM4 Q14833 1/20 0.36
PDE4D Q08499 1/20 0.35
ADRA2A P08913 2/20 0.34
MAOB P27338 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
MAOA P21397 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
ADK P55263 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
CHRM2 P08172 1/20 0.32

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
SCHEMBL314633 0.80 ADORA2A (0.32) KDM4EALDH1A1MAPT
SCHEMBL314634 0.80 ADORA2A (0.32) KDM4EALDH1A1MAPT
SCHEMBL314402 0.79 ADORA3 (0.35) CYP19A1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL314401 0.79 ADORA3 (0.35) CYP19A1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2142958 0.79 CYP11B1 (0.36) KDM4EALDH1A1CYP1A2CYP2D6HPGD
SCHEMBL2142950 0.79 CYP11B1 (0.36) KDM4EALDH1A1CYP1A2CYP2D6HPGD
SCHEMBL315279 0.77 JAK2 (0.35) CYP19A1GRM4PDE4DMAOBKDM4E
SCHEMBL314639 0.77 CNR2 (0.38) CYP19A1GRM4KDM4EALDH1A1HPGD
SCHEMBL314295 0.76 PDE10A (0.33)
SCHEMBL314294 0.76 PDE10A (0.33)

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 CYP19A1 1290/4885GRM4 3364/4885PDE4D 2262/4885

“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.