SCHEMBL1067883

SCHEMBL1067883

COC(=O)/C=C(\C)Oc1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.47
P4HB P07237 1/20 0.45
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
MCHR1 Q99705 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
TDP2 O95551 1/20 0.39

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
SCHEMBL1067887 1.00 MGLL (0.47) MGLLP4HBPRSS1ACRMCHR1
SCHEMBL1067886 1.00 MGLL (0.47) MGLLP4HBPRSS1ACRMCHR1
SCHEMBL2701465 0.81 GSK3B (0.46) MGLLP4HBPRSS1ACRMCHR1
SCHEMBL1068246 0.81 GSK3B (0.46) MGLLP4HBPRSS1ACRMCHR1
SCHEMBL2701471 0.81 GSK3B (0.46) MGLLP4HBPRSS1ACRMCHR1
SCHEMBL30676498 0.80 CYP3A4 (0.58) MGLLP4HBPRSS1ACRSMN1; SMN2
SCHEMBL10547627 0.80 CYP3A4 (0.58) MGLLP4HBPRSS1ACRSMN1; SMN2
SCHEMBL28577855 0.79 MGLL (0.50) MGLLP4HBPRSS1ACRSMN1; SMN2
SCHEMBL587910 0.77 MGLL (0.49) MGLLP4HBPRSS1ACRSMN1; SMN2
SCHEMBL8580189 0.76 MGLL (0.54) MGLLP4HBPRSS1ACR

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 MGLL 1910/4885P4HB 2083/4885PRSS1 468/4885

“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.