SCHEMBL1776355

SCHEMBL1776355

COC(C)(C)CNc1nc[nH]c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.47
GDA Q9Y2T3 1/20 0.41
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
PAX8 Q06710 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MMP9 P14780 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TTK P33981 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
SCHEMBL1776404 0.86 XDH (0.48) XDHGDALMNATSHRPAX8
SCHEMBL1777507 0.84 XDH (0.51) XDHGDALMNATSHRPAX8
SCHEMBL4253369 0.74 XDH (0.51) XDHGDALMNATSHRPAX8
SCHEMBL1776468 0.72 XDH (0.49) XDHGDALMNATSHRPAX8
SCHEMBL12017486 0.72 XDH (0.55) XDHGDALMNATSHRPAX8
SCHEMBL562980 0.71 XDH (0.67) XDHGDALMNATSHRPAX8
SCHEMBL2460104 0.71 XDH (0.43) XDHGDALMNATSHRPAX8
SCHEMBL2458365 0.70 XDH (0.47) XDHGDALMNATSHRPAX8
SCHEMBL11036315 0.69 XDH (0.60) XDHGDALMNATSHRPAX8
SCHEMBL2457645 0.69 XDH (0.46) XDHGDALMNATSHRPAX8

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-7943625-B2 Myeloperoxidase inhibitors; neuroinflammatory disorders; COPD; 3-(2-Ethoxy-2-methylpropyl)-2-thioxanthine ASTRAZENECA AB (SE) 2011-05-17 US disclosed
US-20090131459-A1 2-Thioxanthine Derivatives Acting as MPO-Inhibitors ASTRAZENECA AB (SE) 2009-05-21 US disclosed
EP-2029598-A1 2-THIOXANTHINE DERIVATIVES ACTING AS MPO-INHIBITORS Astra Zeneca AB (SE) 2009-03-04 EP disclosed
US-20080221133-A1 Compounds ASTRAZENECA AB (SE) 2008-09-11 US disclosed
WO-2007142576-A1 2-THIOXANTHINE DERIVATIVES ACTING AS MPO-INHIBITORS ASTRAZENECA AB (SE) 2007-12-13 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 (2 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-20090131459-A1 2-Thioxanthine Derivatives Acting as MPO-Inhibitors MPO, SERPINB1, XDH XDH 3/4885GDA 2035/4885LMNA 3052/4885
US-20080221133-A1 Compounds C1R, C1S, AKR1C3 XDH 1118/4885GDA 4510/4885LMNA 275/4885

“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.