SCHEMBL4770430

SCHEMBL4770430

CC(=O)N(C(C)=O)n1cccc(C(=O)O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.39
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 1/20 0.39
MYC P01106 1/20 0.39
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 2/20 0.37
BRD4 O60885 2/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
BRDT Q58F21 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA7 P43166 2/20 0.37

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
SCHEMBL4768331 0.73 KDM4E (0.46) KDM4EHSD17B10ALDH1A1ALOX15TSHR
SCHEMBL17477692 0.73 BRD4 (0.51) KDM4EALDH1A1ALOX15PKMBRD4
SCHEMBL2280624 0.72 ALDH1A1 (0.46) KDM4EHSD17B10CASP1CASP7ALDH1A1
Hydrochloric Acid SCHEMBL11535108 0.71 BRD4 (0.50) KDM4EALDH1A1ALOX15BRD4BRD2
Hydrochloric Acid SCHEMBL17597430 0.71 ALDH1A1 (0.44) KDM4EHSD17B10CASP1CASP7ALDH1A1
SCHEMBL7828749 0.70 ALDH1A1 (0.48) KDM4EHSD17B10CASP1CASP7ALDH1A1
SCHEMBL5068788 0.69 CNR2 (0.56) KDM4EALDH1A1ALOX15BRD4BRD2
SCHEMBL4773510 0.69 KDM4E (0.39) KDM4EHSD17B10CASP1CASP7ALDH1A1
SCHEMBL4763395 0.68 ALDH1A1 (0.46) KDM4EHSD17B10CASP1CASP7ALDH1A1
Hydrochloric Acid SCHEMBL17595031 0.68 ALDH1A1 (0.46) KDM4EHSD17B10CASP1CASP7ALDH1A1

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 5 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
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 KDM4E 4142/4885HSD17B10 2075/4885CASP1 633/4885

“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.