SCHEMBL2648890

SCHEMBL2648890

O=C(O)C(CC1CCCC1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RAB9A P51151 1/20 0.49
PPARG P37231 2/20 0.48
PPARA Q07869 2/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
ALOX5 P09917 1/20 0.46
MAOB P27338 1/20 0.46
PARP10 Q53GL7 1/20 0.46
FFAR1 O14842 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL2646779 0.88 LTA4H (0.49) KDM4EKMT2ASMN1; SMN2RAB9AALOX5
SCHEMBL2647518 0.84 NPY5R (0.53) SMN1; SMN2PPARGPPARAALOX5FFAR1
SCHEMBL9150310 0.83 ALOX5 (0.57) KDM4EKMT2ASMN1; SMN2ALOX5MAOB
SCHEMBL27108628 0.82 LTA4H (0.51) SMN1; SMN2RAB9AALOX5MAOBFFAR1
SCHEMBL1418773 0.82 CYP2C19 (0.47) KDM4ERAB9ALMNACYP2C19
SCHEMBL1418768 0.82 CYP2C19 (0.47) KDM4ERAB9ALMNACYP2C19
SCHEMBL9556595 0.81 ALOX5 (0.71) ALOX5HDAC6
SCHEMBL7752019 0.80 ALOX5 (0.71) ALOX5HDAC6
SCHEMBL2646192 0.80 EPHX2 (0.48) SMN1; SMN2LMNAPTGS1SLC6A2SLC6A3
SCHEMBL8332027 0.79 PPARG (0.64) PPARGPPARANR4A1NR4A2NR4A3

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 KDM4E 2337/4885KMT2A 2578/4885SMN1; SMN2 4302/4885

“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.