SCHEMBL637235

SCHEMBL637235

O=C([O-])CCC(NC(=O)OCOC(=O)c1cccnc1)c1ccc(Cl)cc1.[Na+]

nearest known ligand 0.47

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
PTGS1 known ✓ P23219 1/20 0.38
PTGS2 known ✓ P35354 1/20 0.38
ALDH1A1 P00352 4/20 0.47
LMNA P02545 4/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 4/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
SUCNR1 Q9BXA5 2/20 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
SCHEMBL637670 0.88 UTS2R (0.45) KDM4E
SCHEMBL916706 0.80 UTS2R (0.51) LMNAMAPTPOLBHPGD
SCHEMBL637430 0.80 LMNA (0.44) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL4757392 0.80 UTS2R (0.45) KDM4ETDP1
SCHEMBL636141 0.79 UTS2R (0.38)
SCHEMBL637234 0.79 SMN1; SMN2 (0.48) ALDH1A1LMNAKMT2AMEN1USP2
SCHEMBL917310 0.78 LMNA (0.38) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL639252 0.78 LMNA (0.38) LMNASMN1; SMN2HTT
SCHEMBL2231327 0.78 UTS2R (0.47) KDM4E
SCHEMBL638108 0.77 LMNA (0.37) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19

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 12 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
EP-1660440-B1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT INC (US) 2012-02-22 EP disclosed
EP-2354120-A1 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XenoPort, Inc. (US) 2011-08-10 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 (7 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 PTGS1 1234/4885PTGS2 1375/4885ALDH1A1 600/4885
US-20180258032-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI PTGS1 1234/4885PTGS2 1375/4885ALDH1A1 600/4885
US-20080096960-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI PTGS1 1234/4885PTGS2 1375/4885ALDH1A1 600/4885
US-20070054945-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, ABAT, SI PTGS1 1234/4885PTGS2 1375/4885ALDH1A1 600/4885
US-20090234138-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS APEH, ABAT, GABARAPL1 PTGS1 1536/4885PTGS2 1580/4885ALDH1A1 646/4885
US-20110021571-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI PTGS1 1234/4885PTGS2 1375/4885ALDH1A1 600/4885
US-20050107334-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, ABAT, SI PTGS1 1234/4885PTGS2 1375/4885ALDH1A1 600/4885

“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.