SCHEMBL1082199

SCHEMBL1082199

CCOc1cccc(OC2=CC(=O)N(C(CC(C)C)C(=O)O)C2)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
TTR P02766 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MDM2 Q00987 2/20 0.33
MCL1 Q07820 2/20 0.33
MC4R P32245 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL1068425 1.00 ALDH1A1 (0.37) ALDH1A1PTGS1PTGS2TTRKMT2A
SCHEMBL1069541 0.90 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1NPC1POLB
SCHEMBL2703301 0.90 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1NPC1POLB
SCHEMBL1067287 0.90 FDFT1 (0.35) ALDH1A1LMNASMN1; SMN2NPSR1MCL1
SCHEMBL1067285 0.90 FDFT1 (0.35) ALDH1A1LMNASMN1; SMN2NPSR1MCL1
SCHEMBL1067334 0.90 ALDH1A1 (0.41) ALDH1A1PTGS1PTGS2TTRKMT2A
SCHEMBL1068912 0.90 ALDH1A1 (0.41) ALDH1A1PTGS1PTGS2TTRKMT2A
SCHEMBL1066409 0.89 CARM1 (0.36) ALDH1A1KMT2ANPSR1L3MBTL1MCL1
SCHEMBL1064282 0.89 CARM1 (0.36) ALDH1A1KMT2ANPSR1L3MBTL1MCL1
SCHEMBL1064053 0.88 PTGS2 (0.41) ALDH1A1PTGS1PTGS2TTRKMT2A

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 1129/4885PTGS1 946/4885PTGS2 945/4885

“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.