SCHEMBL2656465

SCHEMBL2656465

CC[C@H](C)C[C@@H](C(=O)O)N1CC(Oc2ccccc2Cl)=CC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.38
CAMK2A Q9UQM7 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
XIAP P98170 1/20 0.33
KCNQ2 O43526 1/20 0.33
FFAR1 O14842 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL2657654 1.00 CXCL8 (0.38) CXCL8CAMK2AALDH1A1NPSR1CYP1A2
SCHEMBL1067667 1.00 CXCL8 (0.38) CXCL8CAMK2AALDH1A1NPSR1CYP1A2
SCHEMBL2656584 1.00 CXCL8 (0.38) CXCL8CAMK2AALDH1A1NPSR1CYP1A2
SCHEMBL1067666 1.00 CXCL8 (0.38) CXCL8CAMK2AALDH1A1NPSR1CYP1A2
SCHEMBL2657867 1.00 CXCL8 (0.38) CXCL8CAMK2AALDH1A1NPSR1CYP1A2
SCHEMBL2656735 1.00 CXCL8 (0.38) CXCL8CAMK2AALDH1A1NPSR1CYP1A2
SCHEMBL2659036 0.90 CXCL8 (0.40) CXCL8CAMK2AALDH1A1NPSR1CYP1A2
SCHEMBL1066976 0.90 CXCL8 (0.40) CXCL8CAMK2AALDH1A1NPSR1CYP1A2
SCHEMBL1067362 0.90 CXCL8 (0.40) CXCL8CAMK2AALDH1A1NPSR1CYP1A2
SCHEMBL1068269 0.90 ALDH1A1 (0.35) CXCL8ALDH1A1NPSR1CYP1A2CYP3A4

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 7 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
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 CXCL8 3474/4885CAMK2A 837/4885ALDH1A1 1129/4885

“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.