SCHEMBL636489

SCHEMBL636489

CC(C)C(OC(=O)NCCCC(=O)Oc1ccc(Cl)cc1)OC(=O)C1CCCCC1.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
LIPE Q05469 2/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP8 P22894 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL636834 0.99 KMT2A (0.37) KMT2ATDP1LIPETAAR1TRPV1
SCHEMBL640478 0.90 KMT2A (0.36) KMT2ATDP1ADAMTS4MMP8ADAMTS5
SCHEMBL636819 0.87 EPHX2 (0.35) KMT2ATDP1ADAMTS4MMP8ADAMTS5
SCHEMBL916227 0.86 EPHX2 (0.36) KMT2ATDP1ADAMTS4MMP8ADAMTS5
SCHEMBL637531 0.85 KMT2A (0.36) KMT2ALIPEADAMTS4MMP8ADAMTS5
SCHEMBL637123 0.85 KMT2A (0.41) KMT2ATDP1LIPETAAR1HSP90AA1
SCHEMBL637975 0.84 KMT2A (0.40) KMT2ATDP1LIPETAAR1SMN1; SMN2
SCHEMBL915583 0.84 KMT2A (0.40) KMT2ATDP1LIPETAAR1SMN1; SMN2
SCHEMBL636379 0.84 EPHX2 (0.35) KMT2ATDP1LIPETAAR1
SCHEMBL916877 0.84 KMT2A (0.41) KMT2ATDP1LIPETAAR1HSP90AA1

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 14 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
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 (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 KMT2A 2442/4885TDP1 852/4885LIPE 672/4885
US-20180258032-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI KMT2A 2442/4885TDP1 852/4885LIPE 672/4885
US-20080096960-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI KMT2A 2442/4885TDP1 852/4885LIPE 672/4885
US-20170190657-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI KMT2A 2442/4885TDP1 852/4885LIPE 672/4885
US-20070054945-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, ABAT, SI KMT2A 2442/4885TDP1 852/4885LIPE 672/4885
US-20090234138-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS APEH, ABAT, GABARAPL1 KMT2A 2415/4885TDP1 633/4885LIPE 759/4885
US-20110021571-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI KMT2A 2442/4885TDP1 852/4885LIPE 672/4885
US-20050107334-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, ABAT, SI KMT2A 2442/4885TDP1 852/4885LIPE 672/4885

“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.