SCHEMBL4772327

SCHEMBL4772327

CC(C)(C)OC(=O)N(C(=O)[C@@H]1CCCN1)n1nccc(C(=O)O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.36
SCN9A Q15858 2/20 0.36
SCN3A Q9NY46 1/20 0.36
SCN5A Q14524 1/20 0.36
ELANE P08246 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PFKFB2 O60825 1/20 0.32
PFKFB1 P16118 1/20 0.32
PFKFB3 Q16875 1/20 0.32
DPP4 P27487 3/20 0.31
DPP8 Q6V1X1 1/20 0.31
SPR P35270 5/20 0.31
ANPEP P15144 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DHODH Q02127 1/20 0.30

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
SCHEMBL4772050 0.83 SCN4A (0.43) SCN4AELANEKMT2APFKFB2PFKFB1
SCHEMBL4772053 0.83 SCN4A (0.43) SCN4AELANEKMT2APFKFB2PFKFB1
SCHEMBL4773454 0.80 MEN1 (0.35) MEN1KMT2AUSP2HPGDNPSR1
SCHEMBL571717 0.70 SCN4A (0.44) SCN4ASCN9ASCN3ASCN5ADPP4
SCHEMBL6535567 0.70 SCN4A (0.45) SCN4ASCN9ASCN3ASCN5AELANE
SCHEMBL7420310 0.70 SCN4A (0.43) SCN4ASCN9ASCN3ASCN5APFKFB2
SCHEMBL6861557 0.68 SCN4A (0.43) SCN4ASCN9ASCN3ASCN5APFKFB2
SCHEMBL14743892 0.67 SCN4A (0.40) SCN4ASCN9ASCN3ASCN5ADPP4
SCHEMBL14743621 0.67 SCN4A (0.40) SCN4ASCN9ASCN3ASCN5ADPP4
SCHEMBL4772136 0.66 SCN4A (0.46) SCN4AELANEPFKFB2PFKFB1PFKFB3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309565-B1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2008-04-09 EP disclosed
US-6878704-B2 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-12 US disclosed
US-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-25 US 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-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials MLN, MSH2, MRPL21 SCN4A 2891/4885SCN9A 1618/4885SCN3A 3944/4885

“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.