SCHEMBL1883113

SCHEMBL1883113

O=C1CC(OC(=O)OCOC(=O)c2ccccc2)C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.37
DDB1 Q16531 4/20 0.36
CRBN Q96SW2 4/20 0.36
MEN1 O00255 1/20 0.36
ATM Q13315 1/20 0.36
PPM1B O75688 1/20 0.36
TSHR P16473 1/20 0.35
CHRNA7 P36544 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4556983 0.90 TDP1 (0.45) CES2TDP1KMT2AMAPK1HIF1A
SCHEMBL5091923 0.90 TDP1 (0.45) CES2TDP1KMT2AMAPK1HIF1A
SCHEMBL1068302 0.83 GAA (0.48) KMT2AGAALMNAALDH1A1DDB1
Ammonia Solution, Strong SCHEMBL9774304 0.82 GAA (0.47) KMT2AGAALMNAALDH1A1DDB1
SCHEMBL148443 0.80 GPBAR1 (0.46) TDP1KMT2AMAPK1SLC6A2SLC6A3
SCHEMBL6483375 0.78 MMP1 (0.42) TDP1MAPK1HIF1AALDH1A1DDB1
SCHEMBL6168148 0.78 MMP1 (0.42) TDP1MAPK1HIF1AALDH1A1DDB1
SCHEMBL975944 0.78 GAA (0.39) CES2SLC6A2SLC6A3GAALMNA
SCHEMBL2957623 0.78 GAA (0.39) CES2SLC6A2SLC6A3GAALMNA
SCHEMBL660307 0.77 GAA (0.43) KMT2AGAALMNAALDH1A1DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935686-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. (US) 2011-05-03 US disclosed
US-7749985-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2010-07-06 US disclosed
US-20090286759-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2009-11-19 US disclosed
US-7585996-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2009-09-08 US disclosed
US-20090124582-A1 Acyloxyalkyl Carbamate Prodrugs, Methods of Synthesis, and Use XENOPORT, INC. (US) 2009-05-14 US disclosed
US-7494985-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. (US) 2009-02-24 US disclosed
US-20080146526-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. 2008-06-19 US disclosed
WO-2008033572-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2008-03-20 WO disclosed
US-20060111325-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. 2006-05-25 US disclosed
WO-2006050472-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF 3-AMINOPROPYLPHOSPHONOUS AND -PHOSPHINIC ACIDS XENOPORT, INC. (US) 2006-05-11 WO 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 (4 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-20090286759-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, NAPEPLD, AASDHPPT CES2 106/4885TDP1 1214/4885KMT2A 999/4885
US-20060111325-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use APEH, AASDHPPT, AGPS CES2 330/4885TDP1 728/4885KMT2A 1917/4885
US-20080146526-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, NAPEPLD, AASDHPPT CES2 106/4885TDP1 1214/4885KMT2A 999/4885
US-20090124582-A1 Acyloxyalkyl Carbamate Prodrugs, Methods of Synthesis, and Use APEH, AASDHPPT, AGPS CES2 330/4885TDP1 728/4885KMT2A 1917/4885

“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.