SCHEMBL2456512

SCHEMBL2456512

CC(C)(C)OC(=O)n1cc(Cn2c(=S)[nH]c(=O)c3[nH]cnc32)c2cc(Cl)ccc21

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 18/20 0.54
▸ TPO P07202 16/20 0.54
▸ KCNH2 Q12809 3/20 0.54
▸ CYP3A4 P08684 3/20 0.54
▸ HTR6 P50406 1/20 0.39
▸ 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
SCHEMBL2461789 0.80 MPO (0.48) MPOTPOKCNH2CYP3A4PNP
SCHEMBL30749245 0.77 MPO (0.54) MPOTPOKCNH2CYP3A4
SCHEMBL27223595 0.76 MPO (0.51) MPOTPOKCNH2CYP3A4
SCHEMBL30749376 0.76 MPO (0.51) MPOTPOKCNH2CYP3A4
SCHEMBL2282123 0.74 MPO (0.63) MPOTPOKCNH2CYP3A4PNP
SCHEMBL17109096 0.72 HTR6 (0.55) KCNH2HTR6
SCHEMBL2454888 0.71 MPO (0.47) MPOTPOKCNH2CYP3A4
SCHEMBL16726993 0.71 HTR6 (0.52) HTR6
SCHEMBL2457706 0.69 HTR6 (0.41) HTR6
SCHEMBL29353520 0.68 HTR6 (0.51) HTR6

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 12/4885KCNH2 2569/4885

“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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