SCHEMBL1067003

SCHEMBL1067003

CCOC(=O)C=C(CBr)Oc1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
GSK3B P49841 1/20 0.44
MGLL Q99685 7/20 0.42
GRM5 P41594 2/20 0.41
CYP1A2 P05177 1/20 0.41
CNR2 P34972 1/20 0.40
PRSS1 P07477 1/20 0.40
ACR P10323 1/20 0.40
MCHR1 Q99705 1/20 0.39
FFAR1 O14842 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
P4HB P07237 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 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
SCHEMBL1067001 1.00 PDCD1 (0.46) PDCD1CD274GSK3BMGLLGRM5
SCHEMBL1066999 1.00 PDCD1 (0.46) PDCD1CD274GSK3BMGLLGRM5
SCHEMBL1068246 0.88 GSK3B (0.46) GSK3BMGLLPRSS1ACRMCHR1
SCHEMBL2701465 0.88 GSK3B (0.46) GSK3BMGLLPRSS1ACRMCHR1
SCHEMBL2701471 0.88 GSK3B (0.46) GSK3BMGLLPRSS1ACRMCHR1
SCHEMBL1068138 0.85 LMNA (0.49)
SCHEMBL1068139 0.85 LMNA (0.49)
SCHEMBL1068137 0.85 LMNA (0.49)
SCHEMBL1066395 0.84 ALDH1A1 (0.45) CYP1A2
SCHEMBL1064372 0.84 ALDH1A1 (0.45) CYP1A2

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
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 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-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 PDCD1 3162/4885CD274 4395/4885GSK3B 2528/4885

“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.