SCHEMBL2293576

SCHEMBL2293576

CC(C)(C)OC(=O)C(=O)c1cccc(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.49
GRM5 P41594 1/20 0.43
VNN1 O95497 2/20 0.43
P4HB P07237 2/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
GAA P10253 1/20 0.39
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
GPR139 Q6DWJ6 1/20 0.38
CNR2 P34972 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL30807353 0.84 GSK3B (0.51) GSK3BGRM5VNN1P4HBPDK1
SCHEMBL4444228 0.84 GSK3B (0.51) GSK3BGRM5VNN1P4HBPDK1
SCHEMBL6491742 0.83 GSK3B (0.53) GSK3BGRM5VNN1P4HBCES2
SCHEMBL3214756 0.79 PDCD1 (0.58) GSK3BGRM5PDCD1CD274GAA
SCHEMBL5869222 0.78 GSK3B (0.56) GSK3BGRM5VNN1PDK1PDK2
SCHEMBL30973065 0.78 PARP1 (0.50) CES2CES1
SCHEMBL7354619 0.77 GSK3B (0.44) GSK3BGRM5VNN1P4HBPDK1
SCHEMBL7818216 0.77 GSK3B (0.44) GSK3BGRM5VNN1P4HBPDK1
SCHEMBL8245175 0.76 GSK3B (0.56) GSK3BGRM5VNN1P4HBPDK1
SCHEMBL8489202 0.75 GSK3B (0.52) GSK3BGRM5VNN1P4HBPDK1

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
US-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2011-08-04 US disclosed
EP-2164326-A1 AMIDE COMPOUNDS AND THE USE THEREOF Euro-Celtique, S.A. (LU) 2010-03-24 EP disclosed
WO-2008150447-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2008-12-11 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 (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-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF CACNA1E, CACNA1B, CACNA1S GSK3B 2037/4885GRM5 701/4885VNN1 3535/4885

“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.