SCHEMBL4770346

SCHEMBL4770346

CC(C)(C)OC(=O)N(CCn1ccc(=O)c(C(=O)O)c1)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 6/20 0.33
BRD4 O60885 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
GSK3B P49841 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2A1 P68400 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
SCHEMBL4770354 0.87 L3MBTL1 (0.33) CA12CA1CA2CA9L3MBTL1
SCHEMBL4763560 0.86 CRHBP (0.38) CPB2CA12CA1CA2CA9
SCHEMBL4763568 0.74 CRHBP (0.36) CA12CA1CA2CA9
SCHEMBL7019137 0.73 KDM5A (0.38) CA12CA1CA2CA9L3MBTL1
SCHEMBL23699717 0.71 LMNA (0.32)
SCHEMBL29168933 0.71 CTSK (0.39) CA1CA2CA9
SCHEMBL29168929 0.71 CTSK (0.39) CA1CA2CA9
SCHEMBL8638685 0.70 KDM4E (0.38) CA12CA1CA2CA9
SCHEMBL4773904 0.69 CA12 (0.43) CA12CA1CA2CA9CSNK2A2
SCHEMBL28197334 0.69 CA12 (0.37) BRD4CA12CA1CA2CA9

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 4 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
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 CPB2 2344/4885BRD4 4340/4885CA12 3784/4885

“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.