SCHEMBL24993

SCHEMBL24993

CC(C)C(=O)OC(C)c1cc([N+](=O)[O-])ccc1OC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RECQL P46063 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
TTR P02766 1/20 0.37
HPGD P15428 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL636942 1.00 MEN1 (0.40) MEN1KMT2ALMNASMN1; SMN2RECQL
SCHEMBL24992 0.91 SMN1; SMN2 (0.40) MEN1KMT2ALMNASMN1; SMN2RECQL
SCHEMBL25502 0.88 RECQL (0.44) MEN1KMT2ALMNASMN1; SMN2RECQL
SCHEMBL25503 0.88 RECQL (0.44) MEN1KMT2ALMNASMN1; SMN2RECQL
SCHEMBL27164 0.88 LMNA (0.38) MEN1KMT2ALMNASMN1; SMN2RECQL
SCHEMBL25822 0.85 CYSLTR2 (0.41) MEN1KMT2ALMNASMN1; SMN2CYSLTR2
SCHEMBL25823 0.85 CYSLTR2 (0.41) MEN1KMT2ALMNASMN1; SMN2CYSLTR2
SCHEMBL26741 0.83 BCL9 (0.49) MEN1KMT2ALMNASMN1; SMN2CYSLTR2
SCHEMBL26740 0.83 BCL9 (0.49) MEN1KMT2ALMNASMN1; SMN2CYSLTR2
SCHEMBL24651 0.81 LMNA (0.43) MEN1KMT2ALMNASMN1; SMN2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3722285-B1 PROCESS FOR PREPARING MIRABEGRON ENACARBIL TIEFENBACHER ALFRED E GMBH & CO KG (DE) 2022-03-30 EP claimed
EP-3722285-A1 PROCESS FOR PREPARING MIRABEGRON ENACARBIL Alfred E. Tiefenbacher (GmbH & Co. KG) (DE) 2020-10-14 EP claimed
EP-3722285-B1 PROCESS FOR PREPARING MIRABEGRON ENACARBIL TIEFENBACHER ALFRED E GMBH & CO KG (DE) 2022-03-30 EP disclosed
EP-3722285-A1 PROCESS FOR PREPARING MIRABEGRON ENACARBIL Alfred E. Tiefenbacher (GmbH & Co. KG) (DE) 2020-10-14 EP disclosed
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-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2016-03-31 US disclosed
US-9238616-B2 Prodrugs of gaba analogs, compositions and uses thereof XENOPORT, INC. (US) 2016-01-19 US disclosed
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF ARBOR PHARMACEUTICALS, LLC 2015-10-29 US disclosed
US-20050107334-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. 2005-05-19 US disclosed
EP-1404324-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2004-12-22 EP disclosed
US-6818787-B2 FOR THERAPY AND PROPHYLAXIS OF EPILEPSY, DEPRESSION, ANXIETY, PSYCHOSIS, FAINTNESS ATTACKS, HYPOKINESIA, CRANIAL DISORDERS, NEURODEGENERATIVE DISORDERS, PANIC, PAIN, INFLAMMATORY DISEASE, INSOMNIA, GASTROINTESTINAL DISORDERS XENOPORT, INC. 2004-11-16 US disclosed
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. 2004-04-22 US disclosed
EP-1404324-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2004-04-07 EP disclosed
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof ARBOR PHARMACEUTICALS, LLC 2004-01-08 US disclosed
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2003-09-18 US disclosed
US-20030158089-A1 Administrative agents via the SMVT transporter XENOPORT, INC. 2003-08-21 US disclosed
WO-2002100347-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2002-12-19 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 MEN1 4486/4885KMT2A 2442/4885LMNA 3875/4885
US-20180258032-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI MEN1 4486/4885KMT2A 2442/4885LMNA 3875/4885
US-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 MEN1 2201/4885KMT2A 2132/4885LMNA 3012/4885
US-20170190657-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI MEN1 4486/4885KMT2A 2442/4885LMNA 3875/4885
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 MEN1 2201/4885KMT2A 2132/4885LMNA 3012/4885
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 MEN1 2201/4885KMT2A 2132/4885LMNA 3012/4885
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 MEN1 2201/4885KMT2A 2132/4885LMNA 3012/4885
US-20050107334-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, ABAT, SI MEN1 4486/4885KMT2A 2442/4885LMNA 3875/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 MEN1 2201/4885KMT2A 2132/4885LMNA 3012/4885

“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.