SCHEMBL2454868

SCHEMBL2454868

O=C(O)n1cc(Cn2c(=S)[nH]c(=O)c3[nH]ccc32)c2cc(F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 20/20 0.48
▸ TPO P07202 20/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ KCNH2 Q12809 2/20 0.46

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
SCHEMBL1536688 0.79 MPO (0.53) MPOTPOCYP3A4KCNH2
SCHEMBL30601250 0.77 MPO (0.56) MPOTPOCYP3A4KCNH2
SCHEMBL30601245 0.76 MPO (0.76) MPOTPOCYP3A4KCNH2
SCHEMBL30601278 0.74 MPO (0.55) MPOTPOCYP3A4KCNH2
SCHEMBL1536690 0.72 MPO (0.69) MPOTPOCYP3A4KCNH2
SCHEMBL1536659 0.71 MPO (0.48) MPOTPOCYP3A4KCNH2
SCHEMBL27223411 0.68 MPO (0.57) MPOTPOCYP3A4KCNH2
SCHEMBL27224085 0.67 MPO (0.48) MPOTPOCYP3A4KCNH2
SCHEMBL17782074 0.67 MPO (0.72) MPOTPOCYP3A4KCNH2
SCHEMBL17782081 0.67 MPO (0.73) MPOTPOCYP3A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010535-B1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2012-07-11 — — EP disclosed
US-8026244-B2 Thioxanthine derivatives and their use as inhibitors of MPO ASTRAZENECA AB (SE) 2011-09-27 — — US disclosed
US-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-06-11 — — US 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-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX MPO 1/4885TPO 12/4885CYP3A4 1227/4885

“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.

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