SCHEMBL4422246

SCHEMBL4422246

CCC/C(=N\OC)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.46
NR1H3 Q13133 9/20 0.46
MLYCD O95822 6/20 0.44
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
HIF1A Q16665 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NFKB1 P19838 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRK1 P41145 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 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
SCHEMBL4422251 1.00 NR1H2 (0.46) NR1H2NR1H3MLYCDCYP1A2CYP3A4
SCHEMBL4428072 0.92 NR1H2 (0.47) NR1H2NR1H3MLYCDCYP1A2CYP3A4
SCHEMBL4428074 0.92 NR1H2 (0.47) NR1H2NR1H3MLYCDCYP1A2CYP3A4
SCHEMBL4876198 0.87 NR1H2 (0.45) NR1H2NR1H3MLYCDCYP1A2CYP3A4
SCHEMBL4876192 0.87 NR1H2 (0.45) NR1H2NR1H3MLYCDCYP1A2CYP3A4
SCHEMBL4879080 0.85 NR1H3 (0.43) NR1H2NR1H3MLYCDLMNASMN1; SMN2
SCHEMBL4879075 0.85 NR1H3 (0.43) NR1H2NR1H3MLYCDLMNASMN1; SMN2
SCHEMBL4884853 0.83 NR1H3 (0.50) NR1H2NR1H3MLYCD
SCHEMBL4882249 0.83 NR1H3 (0.50) NR1H2NR1H3MLYCD
SCHEMBL4882253 0.83 NR1H3 (0.50) NR1H2NR1H3MLYCD

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 NR1H2 1305/4885NR1H3 1471/4885MLYCD 1/4885
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA NR1H2 1233/4885NR1H3 1405/4885MLYCD 1/4885

“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.