SCHEMBL1068375

SCHEMBL1068375

CC(C)CC(C(=O)O)N1CC(Oc2cccc(O)c2F)=CC1=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.34
MME P08473 2/20 0.33
MCL1 Q07820 2/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BCL2 P10415 2/20 0.31
BCL2L2 Q92843 2/20 0.31
LMNA P02545 2/20 0.31
THRB P10828 1/20 0.31
ACE P12821 2/20 0.30

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
SCHEMBL1067670 1.00 CHRM3 (0.34) CHRM3MMEMCL1MAPTPTGS1
SCHEMBL2700787 0.90 ALDH1A1 (0.34) CHRM3MAPTALDH1A1LMNA
SCHEMBL1066802 0.90 ALDH1A1 (0.34) CHRM3MAPTALDH1A1LMNA
SCHEMBL1063691 0.90 MME (0.33) MMEMCL1PTGS1PTGS2ALDH1A1
SCHEMBL1063687 0.90 MME (0.33) MMEMCL1PTGS1PTGS2ALDH1A1
SCHEMBL1068264 0.89 MRGPRX4 (0.36) MMEMCL1MAPTALDH1A1LMNA
SCHEMBL2655673 0.89 MCL1 (0.34) MMEMCL1PTGS1PTGS2BCL2
SCHEMBL1068266 0.89 MRGPRX4 (0.36) MMEMCL1MAPTALDH1A1LMNA
SCHEMBL1069033 0.89 MCL1 (0.34) MMEMCL1PTGS1PTGS2BCL2
SCHEMBL1064053 0.88 PTGS2 (0.41) MMEPTGS1PTGS2ALDH1A1LMNA

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 10 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 claimed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP claimed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US claimed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US claimed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO claimed
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 CHRM3 4758/4885MME 3517/4885MCL1 4615/4885

“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.