SCHEMBL2647246

SCHEMBL2647246

O=C(O)C(CC1CCCC1)c1ccc(-c2cccnc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.47
MKNK2 Q9HBH9 4/20 0.47
C3AR1 Q16581 1/20 0.45
PTGES O14684 2/20 0.44
LNPEP Q9UIQ6 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MCHR1 Q99705 1/20 0.42
GPR132 Q9UNW8 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
KCNH2 Q12809 1/20 0.41
ATM Q13315 1/20 0.41
ATR Q13535 1/20 0.41
NAMPT P43490 1/20 0.41
IDO1 P14902 1/20 0.41
MME P08473 1/20 0.41

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
SCHEMBL2648456 0.87 MME (0.50) MMEACECPA1ACE2
SCHEMBL2648458 0.87 MME (0.50) MMEACECPA1ACE2
SCHEMBL2648393 0.86 PTGES (0.44) MKNK1MKNK2C3AR1PTGESLNPEP
SCHEMBL2647021 0.85 ROCK2 (0.43) PTGESMCHR1NAMPTMMEACE
SCHEMBL2653136 0.85 C3AR1 (0.48) C3AR1CYP3A4CYP2C9CYP2C19GPR132
SCHEMBL2647772 0.82 MKNK1 (0.44) MKNK1MKNK2C3AR1PTGESLNPEP
SCHEMBL2648399 0.81 KCNH2 (0.50) C3AR1PTGESKCNH2ATRFPR2
SCHEMBL2650820 0.79 RAB9A (0.57) CYP3A4NAMPT
SCHEMBL2647322 0.79 GCK (0.66) C3AR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1418773 0.78 CYP2C19 (0.47) C3AR1CYP3A4CYP2C19MMEACE

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
CN-1245394-C Substituted phenylacetamides and their use as glucokinase activators HOFFMANN LA ROCHE (CH) 2006-03-15 CN disclosed
EP-1282611-B1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-20 EP disclosed
CN-1427829-A Substituted phenylacetamides and their use as glucokinase activators HOFFMANN LA ROCHE (CH) 2003-07-02 CN disclosed
EP-1282611-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-12 EP disclosed
US-6384220-B2 ANTIDIABETIC AGENTS INCREASING THE EXPRESSION OF GLUCOKINASE (GK) TO IMPROVE GLUCOSE TOLERANCE; INCREASE IN GLUCOSE EXPOSURE COUPLED THROUGH GK IN BETA-CELLS TO INCREASE INSULIN SECRETION AND IN HEPATOCYTES TO INCREASE GLYCOGEN DEPOSITION HOFFMANN-LA ROCHE INC. 2002-05-07 US disclosed
US-20020002190-A1 Para-aryl or heterocyclic substituted phenyl glucokinase activators HOFFMANN-LA ROCHE INC. 2002-01-03 US disclosed
WO-2001085706-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-15 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-20020002190-A1 Para-aryl or heterocyclic substituted phenyl glucokinase activators GCKR, GCK, PDXK MKNK1 345/4885MKNK2 255/4885C3AR1 3696/4885

“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.