SCHEMBL1566439

SCHEMBL1566439

O=C(O)C(Oc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.55
PPARG P37231 5/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CHRM1 P11229 1/20 0.44
CNR2 P34972 1/20 0.44
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
CYP1A2 P05177 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR1 P21554 1/20 0.41
PPARA Q07869 3/20 0.41
S1PR3 Q99500 1/20 0.40
PTPN1 P18031 1/20 0.40
FPR2 P25090 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
SCHEMBL1565617 0.93 LDHA (0.63) LDHAPPARGKDM4EALDH1A1CNR2
SCHEMBL21881586 0.87 KDM4E (0.55) PPARGKDM4EALDH1A1CHRM1MEN1
SCHEMBL660871 0.87 KDM4E (0.55) PPARGKDM4EALDH1A1CHRM1MEN1
SCHEMBL13324879 0.87 KDM4E (0.55) PPARGKDM4EALDH1A1CHRM1MEN1
Hydrogen Sulfide SCHEMBL28780976 0.85 KDM4E (0.54) PPARGKDM4EALDH1A1CHRM1MEN1
SCHEMBL1565656 0.85 LDHA (0.54) LDHAPPARGKDM4EALDH1A1KEAP1
SCHEMBL1566701 0.85 LDHA (0.54) LDHAPPARGKDM4EALDH1A1CYP1A2
SCHEMBL2662172 0.85 LDHA (0.54) LDHAPPARGKDM4EALDH1A1CYP1A2
SCHEMBL933549 0.85 PPARG (0.58) LDHAPPARGMEN1KMT2ACNR1
SCHEMBL11568688 0.84 PPARG (0.54) PPARGKDM4EALDH1A1CHRM1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2014-09-25 US disclosed
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed
EP-2305648-A1 Amide derivatives useful as glucokinase activators Novo Nordisk A/S (DK) 2011-04-06 EP disclosed
EP-1458382-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
US-20030171411-A1 Amide derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2003-09-11 US disclosed
EP-1336607-A1 Amide derivatives as glucokinase activators NOVO NORDISK A/S (DK) 2003-08-20 EP disclosed
WO-2003055482-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2003-07-10 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 (2 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-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 LDHA 3267/4885PPARG 3383/4885KDM4E 76/4885
US-20030171411-A1 Amide derivatives as therapeutic agents GK, GCKR, GCK LDHA 565/4885PPARG 75/4885KDM4E 1464/4885

“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.