SCHEMBL22769031

SCHEMBL22769031

COc1ccc(Cc2cn(C)c3ccc([N+](=O)[O-])cc23)cc1C(=O)NS(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
PPARG P37231 2/20 0.47
CYSLTR1 Q9Y271 2/20 0.47
CYSLTR2 Q9NS75 1/20 0.47
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PLA2G4A P47712 1/20 0.46
LTB4R Q15722 1/20 0.46
CDK2 P24941 2/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL22769033 0.90 EPHX2 (0.50) EPHX2PPARGCYSLTR1
SCHEMBL22768815 0.87 EPHX2 (0.49) EPHX2PPARGCYSLTR1CYSLTR2POLB
SCHEMBL22768989 0.86 CDK2 (0.52) PLA2G4ALTB4RCDK2POLBLMNA
SCHEMBL22769013 0.85 CDK2 (0.47) PLA2G4ALTB4RCDK2POLBLMNA
SCHEMBL22768816 0.76 EPHX2 (0.52) EPHX2PPARGCYSLTR1
SCHEMBL28391587 0.75 PLA2G4A (0.56) HPGDPLA2G4ALTB4RCDK2POLB
SCHEMBL9586130 0.74
SCHEMBL22768299 0.73 KMT2A (0.51) CYSLTR1CYSLTR2L3MBTL1MMP2MMP9
SCHEMBL13772378 0.73 PLA2G4A (0.53) PLA2G4ALTB4RCDK2LMNAMAPT
SCHEMBL22768294 0.73 KDM4E (0.51) PLA2G4APOLBLMNAMAPTTP53

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
US-20230136598-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND METHODS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2023-05-04 US disclosed
US-20230136598-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND METHODS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2023-05-04 US disclosed
US-11535592-B2 Antimicrobial compounds, compositions, and method UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2022-12-27 US disclosed
US-20200385348-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND METHODS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2020-12-10 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 (3 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-20230136598-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND METHODS LPO, GPX4, GMPS EPHX2 3033/4885PPARG 283/4885CYSLTR1 887/4885
US-11535592-B2 Antimicrobial compounds, compositions, and method LPO, MPO, GMPS EPHX2 3105/4885PPARG 276/4885CYSLTR1 955/4885
US-20200385348-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND METHODS LPO, GPX4, GMPS EPHX2 3033/4885PPARG 283/4885CYSLTR1 887/4885

“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.