SCHEMBL4417912

SCHEMBL4417912

CCCn1c(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)nc(-c2ccccc2)c1C(=O)NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 6/20 0.46
MLYCD O95822 6/20 0.43
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
RORC P51449 2/20 0.38
PGR P06401 1/20 0.38
RORA P35398 1/20 0.38
RORB Q92753 1/20 0.38
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4430547 0.90 MLYCD (0.41) MLYCDCKS1BSKP1SKP2RORC
SCHEMBL4871566 0.85 MLYCD (0.42) EGLN1MLYCDCKS1BSKP1SKP2
SCHEMBL4424179 0.84 MLYCD (0.39) MLYCDCKS1BSKP1SKP2RORC
SCHEMBL4422260 0.82 MLYCD (0.38) MLYCDALDH1A1LMNACKS1BSKP1
SCHEMBL4424260 0.81 PLAU (0.41) EGLN1MEN1KMT2A
SCHEMBL4420347 0.80 MLYCD (0.41) MLYCDALDH1A1LMNACKS1BSKP1
SCHEMBL4430579 0.80 TRPV4 (0.47) ALDH1A1LMNAMAPT
SCHEMBL4422948 0.80 MLYCD (0.43) MLYCDALDH1A1LMNARORCPGR
SCHEMBL4430683 0.79 EGLN2 (0.40) MLYCDRORC
SCHEMBL4879317 0.76 EGLN1 (0.43) EGLN1MLYCDALDH1A1MAPTKMT2A

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 EGLN1 1704/4885MLYCD 1/4885ALDH1A1 117/4885
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA EGLN1 1863/4885MLYCD 1/4885ALDH1A1 149/4885

“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.