SCHEMBL1776008

SCHEMBL1776008

CCOC(C)CNC(N)=S

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.33
NAMPT P43490 1/20 0.32
TSHR P16473 1/20 0.31
PTGS2 P35354 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL19658638 0.75 MEN1 (0.41) LMNANAMPT
SCHEMBL18496317 0.72 CYP2D6 (0.54) ALDH1A1HPGDLMNANAMPTHSD17B10
SCHEMBL18496262 0.72 CYP2D6 (0.54) ALDH1A1HPGDLMNANAMPTHSD17B10
SCHEMBL18496264 0.72 CYP2D6 (0.54) ALDH1A1HPGDLMNANAMPTHSD17B10
SCHEMBL19658633 0.72 MTNR1A (0.49) ALDH1A1LMNANAMPT
SCHEMBL1746604 0.72
SCHEMBL27540587 0.71
SCHEMBL6380672 0.71 LMNA (0.38) ALDH1A1HPGDLMNA
SCHEMBL19652066 0.71 NAMPT (0.37) HPGDLMNANAMPTTSHR
SCHEMBL20324016 0.70

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 ALDH1A1 132/4885HPGD 415/4885LMNA 3052/4885
US-20080221133-A1 Compounds C1R, C1S, AKR1C3 ALDH1A1 169/4885HPGD 2291/4885LMNA 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.