SCHEMBL4430649

SCHEMBL4430649

COP(=O)(O)CNC(C)C(=O)NO

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGD P52209 2/20 0.35
MEP1B Q16820 2/20 0.34
MMP2 P08253 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
MMP1 P03956 2/20 0.32
MMP3 P08254 1/20 0.32
CA12 O43570 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL14502967 0.84 MEP1B (0.35) PGDMEP1BMMP2CA1CA2
SCHEMBL4555303 0.81 MMP1 (0.41) MMP2CA1CA2MMP1MMP3
SCHEMBL7763537 0.81 MEP1B (0.37) PGDMEP1BMMP2CA1CA2
SCHEMBL14502966 0.81 MEP1B (0.37) PGDMEP1BMMP2CA1CA2
SCHEMBL4554492 0.70 MEP1B (0.50) MEP1BMMP2MMP1MMP3MMP9
SCHEMBL4077155 0.67 KDM4E (0.32)
SCHEMBL16792099 0.65 FNTA (0.39) PGDMMP2CA1CA2CA9
SCHEMBL4441598 0.63 MEP1B (0.40) PGDMEP1BMMP2CA1CA2
SCHEMBL4442494 0.62 MMP1 (0.45) MMP2CA1CA2MMP1MMP3
SCHEMBL10482413 0.62 TET2 (0.38)

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-4391747-B2 2009-12-24 JP claimed
JP-2004532837-A 2004-10-28 JP claimed
US-20040176424-A1 Insecticide and method of controlling insects NUFARM AUSTRALIA LIMITED (AU) 2004-09-09 US claimed
EP-1385379-A4 INSECTICIDE AND METHOD OF CONTROLLING INSECTS NUFARM AUSTRALIA LTD (AU) 2004-06-23 EP claimed
EP-1385379-A1 INSECTICIDE AND METHOD OF CONTROLLING INSECTS NUFARM AUSTRALIA LIMITED (AU) 2004-02-04 EP claimed
WO-2002078448-A1 INSECTICIDE AND METHOD OF CONTROLLING INSECTS NUFARM AUSTRALIA LIMITED (AU) 2002-10-10 WO claimed
EP-1385379-B1 INSECTICIDE AND METHOD OF CONTROLLING INSECTS NUFARM AUSTRALIA LTD (AU) 2008-08-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040176424-A1 Insecticide and method of controlling insects DDT, CYP2B6, NR4A1 PGD 4095/4885MEP1B 2655/4885MMP2 877/4885

“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.