SCHEMBL2647993

SCHEMBL2647993

O=C(O)C(CC1CCCC1)c1ccc(-c2cccc3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.50
PPARA Q07869 12/20 0.50
ACP3 P15309 1/20 0.44
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
PPARD Q03181 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MCL1 Q07820 1/20 0.40
ACMSD Q8TDX5 1/20 0.40

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
SCHEMBL2648557 0.86 PPARG (0.47) PPARGPPARAACP3CYP2C9CYP2C19
SCHEMBL2648458 0.83 MME (0.50) METAP2METAP1ALDH1A1
SCHEMBL2648456 0.83 MME (0.50) METAP2METAP1ALDH1A1
SCHEMBL6597500 0.82 METAP2 (0.42) PPARGPPARAACP3HDAC8HDAC6
SCHEMBL2647943 0.82 PPARG (0.42) PPARGPPARAACP3HDAC8HDAC6
SCHEMBL2647309 0.80 KCNH2 (0.43) PPARGPPARAMETAP2METAP1
SCHEMBL1418773 0.80 CYP2C19 (0.47) CYP2C19METAP2METAP1
SCHEMBL1418768 0.80 CYP2C19 (0.47) CYP2C19METAP2METAP1
SCHEMBL2647453 0.79 GCK (0.46) PPARGPPARAHDAC8HDAC6
SCHEMBL2647663 0.78 GCK (0.62) CYP2C9CYP2C19CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1282611-B1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-20 EP 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 PPARG 78/4885PPARA 168/4885ACP3 3249/4885

“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.