SCHEMBL4432126

SCHEMBL4432126

CCC/C(=N/OCc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 8/20 0.45
NR1H3 Q13133 11/20 0.44
NR1H2 P55055 10/20 0.44
PPARG P37231 1/20 0.41
PPARA Q07869 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
SCHEMBL4432128 1.00 MLYCD (0.45) MLYCDNR1H3NR1H2PPARGPPARA
SCHEMBL4876192 0.84 NR1H2 (0.45) MLYCDNR1H3NR1H2PPARGPPARA
SCHEMBL4876198 0.84 NR1H2 (0.45) MLYCDNR1H3NR1H2PPARGPPARA
SCHEMBL5460640 0.83 SMN1; SMN2 (0.46) PPARGPPARA
SCHEMBL5460633 0.83 SMN1; SMN2 (0.46) PPARGPPARA
SCHEMBL4432148 0.82 PPARG (0.43) MLYCDNR1H3NR1H2PPARGPPARA
SCHEMBL4432147 0.82 PPARG (0.43) MLYCDNR1H3NR1H2PPARGPPARA
SCHEMBL5460693 0.82 PPARA (0.48) PPARGPPARA
SCHEMBL5460695 0.82 PPARA (0.48) PPARGPPARA
SCHEMBL6562382 0.80 PPARG (0.47) PPARGPPARA

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
JP-4267920-B2 2009-05-27 JP claimed
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-03-20 US claimed
US-7279477-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-10-09 US claimed
JP-2004523542-A 2004-08-05 JP claimed
US-20040063671-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-01 US claimed
EP-1377290-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-01-07 EP claimed
WO-2002064136-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-22 WO claimed

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-20040063671-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators MLYCD, ACACA, ME1 MLYCD 1/4885NR1H3 1471/4885NR1H2 1305/4885
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA MLYCD 1/4885NR1H3 1405/4885NR1H2 1233/4885

“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.