SCHEMBL1776404

SCHEMBL1776404

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.48
GDA Q9Y2T3 1/20 0.40
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 5/20 0.35
TSHR P16473 3/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PAX8 Q06710 1/20 0.35
MMP9 P14780 1/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL1777507 0.90 XDH (0.51) XDHGDAKDM4EALDH1A1TSHR
SCHEMBL1776355 0.86 XDH (0.47) XDHGDAKDM4EALDH1A1TSHR
SCHEMBL4254818 0.73 MPO (0.39) XDHHSD17B10HPGD
SCHEMBL562980 0.72 XDH (0.67) XDHGDAKDM4EALDH1A1TSHR
SCHEMBL4253369 0.72 XDH (0.51) XDHGDAKDM4EALDH1A1TSHR
SCHEMBL1776468 0.70 XDH (0.49) XDHGDAKDM4EALDH1A1TSHR
SCHEMBL12017486 0.70 XDH (0.55) XDHGDAKDM4EALDH1A1TSHR
SCHEMBL2460104 0.69 XDH (0.43) XDHGDAKDM4EALDH1A1TSHR
SCHEMBL2458365 0.68 XDH (0.47) XDHGDAKDM4EALDH1A1TSHR
SCHEMBL11036315 0.67 XDH (0.60) XDHGDAKDM4EALDH1A1TSHR

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 2035/4885KDM4E 4023/4885
US-20080221133-A1 Compounds C1R, C1S, AKR1C3 XDH 1118/4885GDA 4510/4885KDM4E 4259/4885

“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.