SCHEMBL4456850

SCHEMBL4456850

O=c1[nH]c(=S)n(-c2cccc(OC(F)(F)F)c2)c2nc[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.43
TPO P07202 2/20 0.43
PDE4B Q07343 5/20 0.41
PDE4D Q08499 5/20 0.41
PDE4A P27815 4/20 0.41
PDE4C Q08493 4/20 0.41
XDH P47989 1/20 0.41
PDE10A Q9Y233 2/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.36
PNP P00491 1/20 0.36

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
SCHEMBL4457887 0.93 PDE4B (0.39) MPOTPOPDE4BPDE4DPDE4A
SCHEMBL4460714 0.82 MPO (0.53) MPOTPOPDE4BPDE4DPDE4A
SCHEMBL4455014 0.81 PDE4A (0.54) MPOTPOPDE4BPDE4DPDE4A
SCHEMBL4457135 0.80 MPO (0.47) MPOTPOPDE4BPDE4DPDE4A
SCHEMBL4500301 0.78 GAA (0.45) XDHPDE10AGAA
SCHEMBL4456420 0.77 MPO (0.42) MPOTPOPDE4BPDE4DPDE4A
SCHEMBL4455334 0.74 GAA (0.42) XDHPDE10AGAA
SCHEMBL4513599 0.74 GAA (0.69) XDHGAA
SCHEMBL4473827 0.74 KDM4E (0.51) MPOTPOPDE4BPDE4DPDE4A
SCHEMBL4458262 0.74 ALDH1A1 (0.46) MPOTPOPDE4BPDE4DPDE4A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286813-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-11-19 US claimed
EP-2010534-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 EP claimed
WO-2007120097-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2007-10-25 WO claimed
US-20090286813-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-11-19 US disclosed
EP-2010534-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120097-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2007-10-25 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-20090286813-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX MPO 1/4885TPO 8/4885PDE4B 964/4885

“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.