SCHEMBL1067285

SCHEMBL1067285

COc1cccc(OC2=CC(=O)N([C@@H](CC(C)C)C(=O)O)C2)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 4/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCL1 Q07820 3/20 0.33
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
MAPT P10636 1/20 0.33
MME P08473 1/20 0.33
P2RX7 Q99572 1/20 0.33
ATM Q13315 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL1067287 1.00 FDFT1 (0.35) FDFT1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL2700614 0.91 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNANPSR1MAPT
SCHEMBL1068248 0.91 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNANPSR1MAPT
SCHEMBL1066409 0.91 CARM1 (0.36) ALDH1A1NPSR1MCL1MAPTP2RX7
SCHEMBL1064282 0.91 CARM1 (0.36) ALDH1A1NPSR1MCL1MAPTP2RX7
SCHEMBL1082199 0.90 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2LMNANPSR1MCL1
SCHEMBL1068425 0.90 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2LMNANPSR1MCL1
SCHEMBL1066976 0.86 CXCL8 (0.40) ALDH1A1SMN1; SMN2NPSR1MCL1AKR1C3
SCHEMBL2659036 0.86 CXCL8 (0.40) ALDH1A1SMN1; SMN2NPSR1MCL1AKR1C3
SCHEMBL1067362 0.86 CXCL8 (0.40) ALDH1A1SMN1; SMN2NPSR1MCL1AKR1C3

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 9 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
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 FDFT1 1408/4885ALDH1A1 1129/4885SMN1; SMN2 2392/4885

“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.