SCHEMBL4138810

SCHEMBL4138810

CCOC(=O)C(NCC(=O)OC(C)(C)C)c1cc(OC)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
PTPRC P08575 2/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
THRB P10828 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL4694865 0.88 HPGD (0.38) MAPTNPC1RAB9AHPGDPTPRC
SCHEMBL7445535 0.82 ALOX15 (0.42) MAPTSMN1; SMN2HPGDKMT2AALDH1A1
SCHEMBL4155668 0.78 MAPT (0.34) MAPTSMN1; SMN2NPC1RAB9APTPRC
SCHEMBL7442758 0.75 SMN1; SMN2 (0.40) MAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL4145065 0.74 NR1D1 (0.33) HPGDKMT2AMEN1THRBMTNR1A
SCHEMBL4138312 0.73 ALDH1A1 (0.43) MAPTNPC1RAB9AHPGDALDH1A1
SCHEMBL7438489 0.72 SMN1; SMN2 (0.43) MAPTSMN1; SMN2PTPRCKMT2AADRB2
SCHEMBL13437548 0.70 THRB (0.44) MAPTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL18431039 0.69 ALDH1A1 (0.45) MAPTNPC1RAB9AHPGDKMT2A
SCHEMBL18431017 0.68 TDP1 (0.43) HPGDKMT2AMEN1ALDH1A1TSHR

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 MAPT 4181/4885SMN1; SMN2 4403/4885NPC1 1736/4885
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents FDPS, MRPL21, DHPS MAPT 4459/4885SMN1; SMN2 4184/4885NPC1 2106/4885
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS GAA, GANAB, ALPI MAPT 4098/4885SMN1; SMN2 4482/4885NPC1 2035/4885

“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.