SCHEMBL1064381

SCHEMBL1064381

COC(=O)/C(=C\C1CC(C)C1)NC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
FKBP1A P62942 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM1A O60341 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41

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
SCHEMBL1064382 1.00 CPB1 (0.44) CPB1ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL1064379 1.00 CPB1 (0.44) CPB1ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL1065810 1.00 CPB1 (0.44) CPB1ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL1066524 1.00 CPB1 (0.44) CPB1ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL1065812 1.00 CPB1 (0.44) CPB1ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL1066521 1.00 CPB1 (0.44) CPB1ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL2699922 0.89 CPB1 (0.46) CPB1ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL2699923 0.89 CPB1 (0.46) CPB1ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL2699921 0.89 CPB1 (0.46) CPB1ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL27002683 0.85 ALDH1A1 (0.44) CPB1ALDH1A1CYP2C9CYP2C19CYP1A2

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 CPB1 1236/4885ALDH1A1 1129/4885CYP2C9 1810/4885

“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.