SCHEMBL4772142

SCHEMBL4772142

CN(C(=O)[C@@H]1CCCN1)n1cccc(C(=O)O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.46
PFKFB2 O60825 1/20 0.35
PFKFB1 P16118 1/20 0.35
PFKFB3 Q16875 1/20 0.35
ELANE P08246 1/20 0.35
CNR2 P34972 4/20 0.34
CNR1 P21554 3/20 0.34
CTSC P53634 1/20 0.34
POLR1A O95602 1/20 0.33
DPP4 P27487 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
PARP1 P09874 2/20 0.32
ANPEP P15144 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ABCC1 P33527 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL4772136 1.00 SCN4A (0.46) SCN4APFKFB2PFKFB1PFKFB3ELANE
SCHEMBL4772050 0.80 SCN4A (0.43) SCN4APFKFB2PFKFB1PFKFB3ELANE
SCHEMBL4772053 0.80 SCN4A (0.43) SCN4APFKFB2PFKFB1PFKFB3ELANE
SCHEMBL4773707 0.75 CNR2 (0.33) CNR2CNR1ALDH1A1KDM4E
SCHEMBL6297488 0.74 TSHR (0.34) CNR2CNR1ALDH1A1KDM4E
SCHEMBL18580371 0.68 SCN4A (0.65) SCN4APFKFB2PFKFB1PFKFB3ELANE
SCHEMBL7302727 0.68 SCN4A (0.53) SCN4ACTSCHTR2CHTR2B
SCHEMBL4768331 0.66 KDM4E (0.46) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL4770430 0.66 KDM4E (0.41) ALDH1A1KDM4E
SCHEMBL18580162 0.65 SCN4A (0.50) SCN4AELANECTSCALDH1A1HTR2C

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 8 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
EP-1309565-A1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-05-14 EP disclosed
WO-2002012199-A1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-14 WO 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 2891/4885PFKFB2 2057/4885PFKFB1 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.