SCHEMBL3867413

SCHEMBL3867413

C=CCON=C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.38
NR1H2 P55055 2/20 0.37
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ADORA1 P30542 2/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTSK P43235 1/20 0.35
MAPK1 P28482 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
F13A1 P00488 1/20 0.32
TGM2 P21980 1/20 0.32
TGM1 P22735 1/20 0.32

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
SCHEMBL27556840 0.93 ESR2 (0.41) ESR2NR1H2ADORA1USP2SMN1; SMN2
SCHEMBL27557006 0.79 ADORA1 (0.46) ESR2NR1H2HPGDADORA1USP2
SCHEMBL2817602 0.78 ESR2 (0.43) ESR2NR1H2MEN1KMT2AMAPK1
SCHEMBL994232 0.78 ESR2 (0.43) ESR2NR1H2MEN1KMT2AMAPK1
SCHEMBL30800944 0.77 ESR2 (0.45) ESR2NR1H2HPGDMEN1KMT2A
SCHEMBL16075641 0.77 ESR2 (0.45) ESR2NR1H2HPGDMEN1KMT2A
SCHEMBL19341961 0.77 ESR2 (0.45) ESR2NR1H2HPGDMEN1KMT2A
SCHEMBL7884848 0.73 KMT2A (0.48) ESR2NR1H2HPGDMEN1KMT2A
SCHEMBL4938455 0.72 HSD17B10 (0.34) SMN1; SMN2CHRM2CHRM1
SCHEMBL4938451 0.72 HSD17B10 (0.34) SMN1; SMN2CHRM2CHRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638529-B2 anti-bacterial agents; staphylococci; coliform bacteria; 7-oxo-6-(sulphooxy)-1,6-diazabicyclo[3,2,1]octane-2-carboxamide; bridged bicyclic ureas or carbamates having bridgehead nitrogen AVENTIS PHARMA S.A. (FR) 2009-12-29 US disclosed
US-20060046995-A1 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2006-03-02 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-20060046995-A1 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, SDHB, SDHA ESR2 4411/4885NR1H2 3149/4885HPGD 62/4885

“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.