SCHEMBL2647518

SCHEMBL2647518

O=C(O)C(CC1CCCC1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.53
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
SRD5A2 P31213 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
EPHX1 P07099 1/20 0.43
PKM P14618 1/20 0.43
CTSS P25774 2/20 0.42
PTGS1 P23219 1/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
GPR88 Q9GZN0 1/20 0.42
CTSL P07711 1/20 0.42
PPARG P37231 2/20 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
SCHEMBL8497719 0.94 NPY5R (0.46) NPY5RSRD5A2MAPTPTGS1PPARG
SCHEMBL2649973 0.89 NPY5R (0.51) NPY5RMETAP2METAP1SRD5A2ALDH1A1
SCHEMBL1418773 0.86 CYP2C19 (0.47) METAP2METAP1
SCHEMBL1418768 0.86 CYP2C19 (0.47) METAP2METAP1
SCHEMBL2646192 0.84 EPHX2 (0.48) ALDH1A1SMN1; SMN2PTGS1
SCHEMBL2648890 0.84 KDM4E (0.49) SMN1; SMN2PTGS1ALOX5PPARGPPARA
SCHEMBL2648458 0.84 MME (0.50) METAP2METAP1ALDH1A1CTSSGPR88
SCHEMBL2648456 0.84 MME (0.50) METAP2METAP1ALDH1A1CTSSGPR88
SCHEMBL2649372 0.81 NPY5R (0.50) NPY5RMETAP2METAP1ALDH1A1MAPT
SCHEMBL2646825 0.81 KDM4E (0.47) ALDH1A1EPHX1CTSSCTSLPPARG

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 NPY5R 1645/4885METAP2 804/4885METAP1 1519/4885

“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.