SCHEMBL4430683

SCHEMBL4430683

CCCCNC(=O)c1c(-c2ccc(C#N)cc2)nc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)n1CCC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.40
MLYCD O95822 5/20 0.39
MGLL Q99685 2/20 0.37
CNR1 P21554 2/20 0.36
NR1H3 Q13133 2/20 0.35
NR1H2 P55055 1/20 0.35
NR1I2 O75469 1/20 0.35
RORC P51449 1/20 0.35
MDM2 Q00987 1/20 0.35
ADORA2A P29274 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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 0.89 MLYCD (0.41) MLYCDNR1H3NR1H2RORC
SCHEMBL4422260 0.86 MLYCD (0.38) MLYCD
SCHEMBL4424260 0.84 PLAU (0.41)
SCHEMBL4424179 0.83 MLYCD (0.39) MLYCDCNR1RORCTRPV1
SCHEMBL4420347 0.80 MLYCD (0.41) MLYCDNR1H3NR1H2TRPV1
SCHEMBL4430579 0.79 TRPV4 (0.47) CD274
SCHEMBL4417912 0.79 EGLN1 (0.46) MLYCDRORC
SCHEMBL4428901 0.76 MLYCD (0.42) MLYCDNR1H3NR1H2
SCHEMBL4879317 0.76 EGLN1 (0.43) MLYCDNR1H3NR1H2
SCHEMBL4871566 0.74 MLYCD (0.42) MLYCDNR1H3NR1H2RORC

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 EGLN2 1831/4885MLYCD 1/4885MGLL 285/4885
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA EGLN2 1756/4885MLYCD 1/4885MGLL 251/4885

“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.