SCHEMBL637757

SCHEMBL637757

O=C(O[C@@](O)(C(=O)O)[C@@](O)(OC(=O)c1ccccc1)C(=O)NO)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
LMNA P02545 3/20 0.42
F2 P00734 1/20 0.42
HDAC8 Q9BY41 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
IDO1 P14902 1/20 0.41
ALOX15 P16050 1/20 0.41
CA9 Q16790 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5818656 0.88 LMNA (0.54) TSHRLMNAF2HSD17B10ALDH1A1
SCHEMBL1848696 0.88 LMNA (0.54) TSHRLMNAF2HSD17B10ALDH1A1
SCHEMBL1849951 0.88 LMNA (0.54) TSHRLMNAF2HSD17B10ALDH1A1
SCHEMBL7751600 0.81 LMNA (0.47) TSHRLMNAF2HSD17B10ALDH1A1
SCHEMBL28706308 0.69 LMNA (0.61) TSHRLMNAF2HSD17B10CA12
SCHEMBL28501745 0.69 LMNA (0.54) TSHRLMNAF2HSD17B10ALDH1A1
SCHEMBL8945819 0.69 TSHR (0.57) TSHRLMNAF2HSD17B10ALDH1A1
SCHEMBL28898522 0.68 LMNA (0.58) TSHRLMNAF2HSD17B10ALDH1A1
SCHEMBL9888221 0.67 TDP1 (0.55) TSHRLMNAF2HSD17B10ALDH1A1
SCHEMBL4737765 0.67 LMNA (0.52) TSHRLMNAF2HSD17B10ALDH1A1

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 44 patents — showing the first 20. 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
US-9353057-B2 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT, INC. (US) 2016-05-31 US disclosed
US-20130131355-A1 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF XENOPORT, INC. (US) 2013-05-23 US disclosed
EP-1716115-B1 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF XENOPORT INC (US) 2013-02-27 EP disclosed
US-8378137-B2 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT, INC. (US) 2013-02-19 US disclosed
EP-1660440-B1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT INC (US) 2012-02-22 EP disclosed
US-20120010425-A1 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF XENOPORT, INC. (US) 2012-01-12 US disclosed
EP-1716115-A2 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF Xenoport, Inc. (US) 2006-11-02 EP disclosed
US-7109239-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2006-09-19 US disclosed
EP-1660440-A2 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE Xenoport, Inc. (US) 2006-05-31 EP disclosed
US-20060111325-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. 2006-05-25 US disclosed
US-20060111439-A1 Acyloxyalkyl carbamate prodrugs of sulfinic acids, methods of synthesis, and use XENOPORT, INC. 2006-05-25 US disclosed
WO-2006050472-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF 3-AMINOPROPYLPHOSPHONOUS AND -PHOSPHINIC ACIDS XENOPORT, INC. (US) 2006-05-11 WO disclosed
US-20050222431-A1 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT, INC. 2005-10-06 US disclosed
WO-2005066122-A2 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF XENOPORT, INC. (US) 2005-07-21 WO disclosed
US-20050107334-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. 2005-05-19 US disclosed
WO-2005019163-A2 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2005-03-03 WO 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 (9 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 TSHR 2219/4885LMNA 3875/4885F2 1924/4885
US-20180258032-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI TSHR 2219/4885LMNA 3875/4885F2 1924/4885
US-20060111325-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use APEH, AASDHPPT, AGPS TSHR 1921/4885LMNA 3723/4885F2 1511/4885
US-20170190657-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI TSHR 2219/4885LMNA 3875/4885F2 1924/4885
US-20050222431-A1 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof CPS1, ACMSD, NAAA TSHR 3390/4885LMNA 3003/4885F2 3865/4885
US-20050107334-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, ABAT, SI TSHR 2219/4885LMNA 3875/4885F2 1924/4885
US-20130131355-A1 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF CPS1, ACMSD, NAAA TSHR 3390/4885LMNA 3003/4885F2 3865/4885
US-20120010425-A1 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF CPS1, ACMSD, NAAA TSHR 3390/4885LMNA 3003/4885F2 3865/4885
US-20060111439-A1 Acyloxyalkyl carbamate prodrugs of sulfinic acids, methods of synthesis, and use ASS1, APEH, ACMSD TSHR 1943/4885LMNA 3674/4885F2 1560/4885

“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.