SCHEMBL4772050

SCHEMBL4772050

CN(C(=O)[C@H]1CCCN1)n1nccc(C(=O)O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.43
ELANE P08246 1/20 0.37
PFKFB1 P16118 2/20 0.36
PFKFB3 Q16875 2/20 0.36
PFKFB2 O60825 1/20 0.36
DHODH Q02127 2/20 0.33
CREBBP Q92793 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GLI1 P08151 1/20 0.31
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
KMT2A Q03164 1/20 0.30
RIPK1 Q13546 1/20 0.30
PARP1 P09874 1/20 0.30
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 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
SCHEMBL4772053 1.00 SCN4A (0.43) SCN4AELANEPFKFB1PFKFB3PFKFB2
SCHEMBL4772327 0.83 SCN4A (0.36) SCN4AELANEPFKFB1PFKFB3PFKFB2
SCHEMBL4772136 0.80 SCN4A (0.46) SCN4AELANEPFKFB1PFKFB3PFKFB2
SCHEMBL4772142 0.80 SCN4A (0.46) SCN4AELANEPFKFB1PFKFB3PFKFB2
SCHEMBL6297408 0.73 KDM4C (0.31) ALDH1A1
SCHEMBL7017392 0.66 SCN4A (0.46) SCN4AELANEPFKFB1PFKFB3PFKFB2
SCHEMBL18580371 0.65 SCN4A (0.65) SCN4AELANEPFKFB1PFKFB3PFKFB2
SCHEMBL7302727 0.64 SCN4A (0.53) SCN4AKMT2A
SCHEMBL490079 0.64 GLI1 (0.66) SCN4AGLI1KMT2ADPP4DPP8
SCHEMBL894617 0.64 GLI1 (0.66) SCN4AGLI1KMT2ADPP4DPP8

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 6 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 claimed
US-6878704-B2 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-12 US claimed
US-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-25 US claimed
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 2891/4885ELANE 251/4885PFKFB1 2172/4885

“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.