SCHEMBL639714

SCHEMBL639714

O=C(CCC(NC(=O)OCOC(=O)c1ccccc1)c1ccc(Cl)cc1)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
UTS2R Q9UKP6 8/20 0.43
CCKBR P32239 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARA Q07869 2/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL917102 0.89 CCKBR (0.49) TP53KMT2AMEN1MAPTPOLB
SCHEMBL641697 0.89 TP53 (0.47) TP53KMT2AMEN1MAPTPOLB
SCHEMBL638666 0.88 TP53 (0.46) TP53KMT2AMEN1MAPTPOLB
SCHEMBL2231327 0.87 UTS2R (0.47) KDM4EUTS2R
SCHEMBL915625 0.87 TP53 (0.45) TP53KMT2AMEN1MAPTPOLB
SCHEMBL639236 0.86 TP53 (0.50) TP53KMT2AMEN1MAPTPOLB
SCHEMBL637746 0.85 UTS2R (0.43) TP53KMT2AMEN1MAPTPOLB
SCHEMBL637670 0.84 UTS2R (0.45) KDM4EUTS2R
SCHEMBL638477 0.84 UTS2R (0.41) TP53KMT2AMEN1MAPTPOLB
SCHEMBL637135 0.83 CCKBR (0.42) TP53KMT2AMEN1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385014-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use ARBOR PHARMACEUTICALS, LLC (US) 2019-08-20 US disclosed
US-20180258032-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE ARBOR PHARMACEUTICALS, LLC 2018-09-13 US disclosed
US-9944592-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2018-04-17 US disclosed
US-20170190657-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2017-07-06 US disclosed
EP-1660440-B1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT INC (US) 2012-02-22 EP disclosed
US-20110021571-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2011-01-27 US disclosed
US-20090234138-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS XENOPORT, INC. 2009-09-17 US disclosed
US-7572830-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2009-08-11 US disclosed
US-20080096960-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. 2008-04-24 US disclosed
US-7300956-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2007-11-27 US disclosed
US-20070054945-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2007-03-08 US disclosed
US-7109239-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2006-09-19 US disclosed
US-20050107334-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. 2005-05-19 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 (8 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-10385014-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, ABAT, SI TP53 3324/4885KMT2A 2442/4885MEN1 4486/4885
US-20180258032-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI TP53 3324/4885KMT2A 2442/4885MEN1 4486/4885
US-20080096960-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI TP53 3324/4885KMT2A 2442/4885MEN1 4486/4885
US-20170190657-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI TP53 3324/4885KMT2A 2442/4885MEN1 4486/4885
US-20070054945-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, ABAT, SI TP53 3324/4885KMT2A 2442/4885MEN1 4486/4885
US-20090234138-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS APEH, ABAT, GABARAPL1 TP53 2921/4885KMT2A 2415/4885MEN1 4558/4885
US-20110021571-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI TP53 3324/4885KMT2A 2442/4885MEN1 4486/4885
US-20050107334-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, ABAT, SI TP53 3324/4885KMT2A 2442/4885MEN1 4486/4885

“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.