SCHEMBL640970

SCHEMBL640970

CC(=O)OC(C)OC(=O)NCCC(C(=O)[O-])c1ccc(Cl)cc1.[Na+]

nearest known ligand 0.37

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
UTS2R Q9UKP6 1/20 0.36
CNR1 P21554 2/20 0.36
HTT P42858 2/20 0.35
FFAR2 O15552 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
CASR P41180 1/20 0.33
CNR2 P34972 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 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
SCHEMBL636830 0.90 L3MBTL1 (0.39) L3MBTL1UTS2RCNR1HTTFFAR2
SCHEMBL637963 0.90 L3MBTL1 (0.39) L3MBTL1UTS2RCNR1HTTFFAR2
SCHEMBL916873 0.90 L3MBTL1 (0.39) L3MBTL1UTS2RCNR1HTTFFAR2
SCHEMBL639619 0.88 L3MBTL1 (0.35) L3MBTL1UTS2RCNR1HTTFFAR2
SCHEMBL637839 0.87 HTT (0.35) L3MBTL1UTS2RCNR1HTTFFAR2
SCHEMBL917274 0.86 SLC6A2 (0.42) L3MBTL1UTS2RCNR1POLBCASR
SCHEMBL636952 0.85 FFAR2 (0.36) L3MBTL1UTS2RCNR1HTTFFAR2
SCHEMBL640476 0.83 SMN1; SMN2 (0.38) CNR1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL636659 0.83 L3MBTL1 (0.41) L3MBTL1UTS2RCNR1HTTFFAR2
SCHEMBL637968 0.83 L3MBTL1 (0.41) L3MBTL1UTS2RCNR1HTTFFAR2

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 L3MBTL1 1535/4885UTS2R 1572/4885CNR1 151/4885
US-20180258032-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI L3MBTL1 1535/4885UTS2R 1572/4885CNR1 151/4885
US-20080096960-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI L3MBTL1 1535/4885UTS2R 1572/4885CNR1 151/4885
US-20170190657-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI L3MBTL1 1535/4885UTS2R 1572/4885CNR1 151/4885
US-20070054945-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, ABAT, SI L3MBTL1 1535/4885UTS2R 1572/4885CNR1 151/4885
US-20090234138-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS APEH, ABAT, GABARAPL1 L3MBTL1 1425/4885UTS2R 1377/4885CNR1 186/4885
US-20110021571-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI L3MBTL1 1535/4885UTS2R 1572/4885CNR1 151/4885
US-20050107334-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, ABAT, SI L3MBTL1 1535/4885UTS2R 1572/4885CNR1 151/4885

“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.