SCHEMBL4773707

SCHEMBL4773707

CN(C(=O)C1CSC1)n1cccc(C(=O)O)c1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.33
CNR1 P21554 4/20 0.33
KDM4E B2RXH2 2/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
BRDT Q58F21 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 4/20 0.31
NOTUM Q6P988 1/20 0.31
GAA P10253 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALOX15 P16050 1/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6297488 0.83 TSHR (0.34) CNR2CNR1KDM4ECASP1CASP7
SCHEMBL4772136 0.75 SCN4A (0.46) CNR2CNR1KDM4EALDH1A1
SCHEMBL4772142 0.75 SCN4A (0.46) CNR2CNR1KDM4EALDH1A1
SCHEMBL4768331 0.69 KDM4E (0.46) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL4770430 0.69 KDM4E (0.41) KDM4ECASP1CASP7HSD17B10BRD4
SCHEMBL7021251 0.64 KDM4E (0.37) KDM4EHSD17B10ALDH1A1GAA
SCHEMBL17477692 0.64 BRD4 (0.51) CNR2CNR1KDM4EBRD4BRD2
SCHEMBL2280624 0.63 ALDH1A1 (0.46) KDM4ECASP1CASP7HSD17B10BRD4
SCHEMBL11634695 0.62 PTGS2 (0.45) KDM4ECASP1CASP7HSD17B10BRD4
Hydrochloric Acid SCHEMBL11535108 0.62 BRD4 (0.50) CNR2CNR1KDM4EBRD4BRD2

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 CNR2 4881/4885CNR1 4876/4885KDM4E 4142/4885

“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.