SCHEMBL4422948

SCHEMBL4422948

CCCn1c(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)nc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.43
NR1H2 P55055 10/20 0.43
NR1H3 Q13133 10/20 0.43
RORA P35398 2/20 0.42
RORC P51449 2/20 0.42
RORB Q92753 2/20 0.42
PGR P06401 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL4875915 0.86 MEN1 (0.44) MLYCDNR1H2NR1H3RORARORC
SCHEMBL4417912 0.80 EGLN1 (0.46) MLYCDRORARORCRORBPGR
SCHEMBL4430547 0.79 MLYCD (0.41) MLYCDNR1H2NR1H3RORARORC
SCHEMBL4871566 0.78 MLYCD (0.42) MLYCDNR1H2NR1H3RORARORC
SCHEMBL18152846 0.76 TSHR (0.61) NR1H3MEN1KMT2AKDM4EALDH1A1
SCHEMBL8007698 0.76 ESR1 (0.50) KMT2AKDM4EALDH1A1LMNAGAA
SCHEMBL4882528 0.75 TLR8 (0.43) MLYCDNR1H2NR1H3RORARORC
SCHEMBL8843875 0.73 TSHR (0.54) MEN1KMT2ATSHR
SCHEMBL4424179 0.73 MLYCD (0.39) MLYCDRORARORCRORBPGR
SCHEMBL22219425 0.72 FAAH (0.49) TSHR

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

“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.