SCHEMBL915835

SCHEMBL915835

O=C(OCOC(=O)c1ccccc1)ON1C(=O)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
KMT2A Q03164 3/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 2/20 0.42
HIF1A Q16665 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MGLL Q99685 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.40
PPARG P37231 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL3106205 0.88 TDP1 (0.51) TDP1KMT2AMAPTMAPK1HIF1A
SCHEMBL4698152 0.86 TDP1 (0.61) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL4702445 0.86 TDP1 (0.57) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL9053425 0.84 RAB9A (0.49) TDP1KMT2AMAPTMAPK1HIF1A
SCHEMBL20990655 0.82 TDP1 (0.45) TDP1KMT2AMAPTMAPK1HIF1A
SCHEMBL4699911 0.82 ALDH1A1 (0.47) TDP1KMT2AMAPTMAPK1HIF1A
SCHEMBL14063664 0.82 MGLL (0.33) MGLL
SCHEMBL4066802 0.81 KMT2A (0.48) TDP1KMT2AMAPTMAPK1MGLL
SCHEMBL15991987 0.81 ALDH1A1 (0.56) TDP1KMT2AMAPTMAPK1MGLL
SCHEMBL19309377 0.81 KMT2A (0.53) TDP1KMT2AMAPTMAPK1HIF1A

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018174838-A1 CYSTEAMINE PRODRUGS, RELATED ANALOGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2018-09-27 WO disclosed
WO-2018174839-A1 CYSTEINE, N-ACETYLCYSTEINE AND PENICILLAMINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2018-09-27 WO disclosed
US-9963428-B1 Bucillamine prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2018-05-08 US disclosed
US-9738620-B2 Trientine prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-08-22 US disclosed
US-9701656-B2 Tiopronin prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-07-11 US disclosed
US-20170129868-A1 TRIENTINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-05-11 US disclosed
US-20170129867-A1 TIOPRONIN PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-05-11 US disclosed
US-9630918-B2 Cysteine, N-acetylcysteine, and penicillamine related compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-04-25 US disclosed
US-9630917-B2 Cysteamine prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-04-25 US disclosed
US-20170081279-A1 CYSTEAMINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-03-23 US disclosed
US-7592369-B2 Acyloxyalkyl carbamate prodrugs of tranexamic acid, methods of synthesis and use XENOPORT, INC. (US) 2009-09-22 US disclosed
US-7585996-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2009-09-08 US disclosed
US-7494985-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. (US) 2009-02-24 US disclosed
US-20080153898-A1 ACYLOXYALKYL CARBAMATE PRODRUGS OF TRANEXAMIC ACID, METHODS OF SYNTHESIS AND USE XENOPORT, INC. 2008-06-26 US disclosed
US-20080146526-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. 2008-06-19 US disclosed
EP-1919859-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF TRANEXAMIC ACID, METHODS OF SYNTHESIS AND USE Xenoport, Inc. (US) 2008-05-14 EP disclosed
US-7351740-B2 Acyloxyalkyl carbamate prodrugs of tranexamic acid, methods of synthesis and use XENOPORT, INC. (US) 2008-04-01 US disclosed
US-20070027210-A1 Acyloxyalkyl carbamate prodrugs of tranexamic acid, methods of synthesis and use XENOPORT, INC. 2007-02-01 US disclosed
WO-2007002013-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF TRANEXAMIC ACID, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2007-01-04 WO disclosed
US-20060111325-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. 2006-05-25 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-20060111325-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use APEH, AASDHPPT, AGPS TDP1 728/4885KMT2A 1917/4885MAPT 4107/4885
US-20080146526-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, NAPEPLD, AASDHPPT TDP1 1214/4885KMT2A 999/4885MAPT 796/4885
US-20170081279-A1 CYSTEAMINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE GLS, GLS2, CTH TDP1 1574/4885KMT2A 1770/4885MAPT 705/4885
US-20170129867-A1 TIOPRONIN PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE TPMT, UTRN, CYP2C19 TDP1 901/4885KMT2A 2683/4885MAPT 1767/4885
US-20170129868-A1 TRIENTINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE SLC10A1, ABCB11, SLC10A2 TDP1 1180/4885KMT2A 3369/4885MAPT 469/4885
US-20070027210-A1 Acyloxyalkyl carbamate prodrugs of tranexamic acid, methods of synthesis and use ACMSD, APEH, CPS1 TDP1 1931/4885KMT2A 1530/4885MAPT 3737/4885
US-20080153898-A1 ACYLOXYALKYL CARBAMATE PRODRUGS OF TRANEXAMIC ACID, METHODS OF SYNTHESIS AND USE ACMSD, APEH, CPS1 TDP1 1931/4885KMT2A 1530/4885MAPT 3737/4885

“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.