SCHEMBL1068912

SCHEMBL1068912

CCOc1ccccc1OC1=CC(=O)N(C(CC(C)C)C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MME P08473 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
FFAR1 O14842 1/20 0.35
MCL1 Q07820 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
TTR P02766 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1067334 1.00 ALDH1A1 (0.41) ALDH1A1L3MBTL1GLAKMT2APOLB
SCHEMBL1082199 0.90 ALDH1A1 (0.37) ALDH1A1L3MBTL1KMT2APOLBMEN1
SCHEMBL1064048 0.90 PTGS2 (0.41) ALDH1A1L3MBTL1KMT2APOLBMEN1
SCHEMBL1068425 0.90 ALDH1A1 (0.37) ALDH1A1L3MBTL1KMT2APOLBMEN1
SCHEMBL1064053 0.90 PTGS2 (0.41) ALDH1A1L3MBTL1KMT2APOLBMEN1
SCHEMBL1066059 0.89 ALDH1A1 (0.44) ALDH1A1L3MBTL1GLAKMT2APOLB
SCHEMBL2702153 0.89 ALDH1A1 (0.44) ALDH1A1L3MBTL1GLAKMT2APOLB
SCHEMBL1064773 0.87 BCL2 (0.37) ALDH1A1KMT2APOLBMEN1MME
SCHEMBL1064772 0.87 BCL2 (0.37) ALDH1A1KMT2APOLBMEN1MME
SCHEMBL1067056 0.86 MME (0.38) KMT2APOLBMEN1MMEMCL1

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 8 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
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
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 ALDH1A1 1129/4885L3MBTL1 4431/4885GLA 186/4885

“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.