SCHEMBL26741

SCHEMBL26741

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.49
CTNNB1 P35222 1/20 0.49
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 1/20 0.39
MAPT P10636 5/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 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
SCHEMBL26740 1.00 BCL9 (0.49) BCL9CTNNB1CYSLTR2CYSLTR1ALDH1A1
SCHEMBL26739 0.92 BCL9 (0.50) BCL9CTNNB1CYSLTR2CYSLTR1ALDH1A1
SCHEMBL25823 0.91 CYSLTR2 (0.41) BCL9CTNNB1CYSLTR2CYSLTR1ALDH1A1
SCHEMBL25822 0.91 CYSLTR2 (0.41) BCL9CTNNB1CYSLTR2CYSLTR1ALDH1A1
SCHEMBL25503 0.84 RECQL (0.44) CYSLTR2CYSLTR1ALDH1A1MAPTMEN1
SCHEMBL25502 0.84 RECQL (0.44) CYSLTR2CYSLTR1ALDH1A1MAPTMEN1
Bicarbonate SCHEMBL3059503 0.83 BCL9 (0.48) BCL9CTNNB1CYSLTR2CYSLTR1ALDH1A1
SCHEMBL636942 0.83 MEN1 (0.40) CYSLTR2CYSLTR1ALDH1A1MAPTMEN1
SCHEMBL24993 0.83 MEN1 (0.40) CYSLTR2CYSLTR1ALDH1A1MAPTMEN1
SCHEMBL25821 0.82 TDP1 (0.42) BCL9CTNNB1CYSLTR2CYSLTR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2013-04-25 US disclosed
US-8367722-B2 Methods of using prodrugs of pregabalin XENOPORT, INC. (US) 2013-02-05 US disclosed
US-8168623-B2 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2012-05-01 US disclosed
US-20120035258-A1 METHODS OF USING PRODRUGS OF PREGABALIN XENOPORT, INC. (US) 2012-02-09 US disclosed
EP-1902714-B1 Prodrugs of gaba analogs, compositions and uses thereof XENOPORT INC (US) 2012-01-11 EP disclosed
US-8048917-B2 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2011-11-01 US disclosed
EP-1404324-B2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2011-04-06 EP disclosed
US-6972341-B2 Prodrugs of GABA analogs, compositions and uses thereof XENO PORT, INC. (US) 2005-12-06 US disclosed
EP-1569895-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2005-09-07 EP 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
WO-2004052844-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2004-06-24 WO 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
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 (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-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 BCL9 2365/4885CTNNB1 4448/4885CYSLTR2 1320/4885
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 BCL9 2365/4885CTNNB1 4448/4885CYSLTR2 1320/4885
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 BCL9 2365/4885CTNNB1 4448/4885CYSLTR2 1320/4885
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 BCL9 2365/4885CTNNB1 4448/4885CYSLTR2 1320/4885
US-20120035258-A1 METHODS OF USING PRODRUGS OF PREGABALIN GABBR1, GABRB2, GABBR2 BCL9 3804/4885CTNNB1 4146/4885CYSLTR2 1091/4885
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 BCL9 2365/4885CTNNB1 4448/4885CYSLTR2 1320/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 BCL9 2365/4885CTNNB1 4448/4885CYSLTR2 1320/4885

“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.