SCHEMBL4145065

SCHEMBL4145065

CCOC(=O)C(c1cc(OC)ccc1Br)N(CC(=O)OC(C)(C)C)C(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.33
PRKCZ Q05513 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
LMNA P02545 1/20 0.32
PRNP P04156 1/20 0.32
ATM Q13315 1/20 0.31
CES2 O00748 1/20 0.31
ACHE P22303 1/20 0.31
CES1 P23141 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EPHX2 P34913 1/20 0.31
PPARG P37231 1/20 0.31
KMT2A Q03164 3/20 0.31

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
SCHEMBL4694873 0.89 NR1D1 (0.34) NR1D1MTNR1AMTNR1BSIGMAR1HPGD
SCHEMBL4149087 0.80 PTPN2 (0.30)
SCHEMBL5186385 0.76 EDNRB (0.32) L3MBTL1KMT2AMEN1
SCHEMBL4138810 0.74 MAPT (0.37) L3MBTL1ALDH1A1MTNR1AMTNR1BTSHR
SCHEMBL4138312 0.69 ALDH1A1 (0.43) L3MBTL1LMNAPRNPATMALDH1A1
SCHEMBL4693024 0.68
SCHEMBL4145070 0.68 ALDH1A1 (0.34) L3MBTL1ALDH1A1MTNR1AMTNR1BTSHR
SCHEMBL5261114 0.67 EDNRB (0.33) ALDH1A1MTNR1AMTNR1B
SCHEMBL4694865 0.66 HPGD (0.38) NR1D1POLBMTNR1AMTNR1BPPARG
SCHEMBL18431039 0.65 ALDH1A1 (0.45) L3MBTL1POLBLMNAPRNPATM

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
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2009-01-15 US disclosed
US-7439253-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors NOVEXEL (FR) 2008-10-21 US disclosed
US-7288549-B2 Heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents AVENTIS PHARMA S.A. (FR) 2007-10-30 US disclosed
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents ENTASIS THERAPEUTICS LIMITED (GB) 2005-11-03 US disclosed
US-20040157826-A1 Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors AVENTIS PHARMA S.A. (FR) 2004-08-12 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-20040157826-A1 Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors GAA, ALPI, GANAB NR1D1 2347/4885PRKCZ 1598/4885L3MBTL1 3517/4885
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents FDPS, MRPL21, DHPS NR1D1 3079/4885PRKCZ 4795/4885L3MBTL1 4863/4885
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS GAA, GANAB, ALPI NR1D1 2430/4885PRKCZ 1357/4885L3MBTL1 3631/4885

“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.