SCHEMBL3833932

SCHEMBL3833932

CCn1c(S)cc(=O)n(C)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MAPK1 P28482 1/20 0.41
GAA P10253 2/20 0.40
CYP3A4 P08684 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
CYP1A2 P05177 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4A P27815 2/20 0.37
ADORA2A P29274 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ADORA2B P29275 1/20 0.37
POLB P06746 2/20 0.36
PLA2G7 Q13093 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL3827118 0.86 ALDH1A1 (0.47) ALDH1A1MAPK1GAACYP3A4L3MBTL1
SCHEMBL3829961 0.79 ALDH1A1 (0.65) ALDH1A1MAPK1GAACYP3A4L3MBTL1
SCHEMBL4807789 0.79 GRM2 (0.44) ALDH1A1MAPK1GAACYP3A4L3MBTL1
SCHEMBL3875250 0.78 ALDH1A1 (0.59) ALDH1A1MAPK1GAACYP3A4L3MBTL1
SCHEMBL4801216 0.77 ALDH1A1 (0.43) ALDH1A1GAACYP3A4L3MBTL1MEN1
SCHEMBL221044 0.76 ALDH1A1 (0.58) ALDH1A1MAPK1GAACYP3A4L3MBTL1
SCHEMBL28781758 0.73 ALDH1A1 (1.00) ALDH1A1MAPK1GAACYP3A4L3MBTL1
SCHEMBL23635722 0.72 ALDH1A1 (0.53) ALDH1A1MAPK1GAACYP3A4L3MBTL1
SCHEMBL26940380 0.69 ALDH1A1 (0.50) ALDH1A1GAAL3MBTL1PDE4AADORA2A
SCHEMBL30471915 0.68 ALDH1A1 (0.50) ALDH1A1MAPK1GAAL3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414825-B9 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2009-09-16 EP disclosed
US-7384950-B2 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2008-06-10 US disclosed
US-7361660-B2 Chemical compounds ASTRAZENECA AB (SE) 2008-04-22 US disclosed
EP-1414825-B1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2007-09-26 EP disclosed
EP-1412362-B1 THIENO¬2,3-d|PYRIMIDINEDIONES AS INHIBITORS OF T-CELLS PROLIFERATION ASTRAZENECA AB (SE) 2006-08-02 EP disclosed
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2004-12-16 US disclosed
US-20040171623-A1 Chemical compounds ASTRAZENECA AB (SE) 2004-09-02 US disclosed
EP-1414825-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE AstraZeneca AB (SE) 2004-05-06 EP disclosed
EP-1412362-A1 CHEMICAL COMPOUNDS Astrazeneca AB (SE) 2004-04-28 EP disclosed
WO-2003011868-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2003-02-13 WO disclosed
WO-2003008422-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-01-30 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-20040171623-A1 Chemical compounds CBR1, SETDB1, CBR3 ALDH1A1 401/4885MAPK1 2613/4885GAA 2477/4885
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease TPMT, CBR1, CYP2D6 ALDH1A1 84/4885MAPK1 2559/4885GAA 4481/4885

“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.