SCHEMBL26657

SCHEMBL26657

[N-]=[N+]=C(C(=O)O)C(=O)CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT5 Q96KN8 10/20 0.53
PLAAT4 Q9UL19 10/20 0.53
KEAP1 Q14145 1/20 0.52
ALDH1A1 P00352 1/20 0.48
FFAR1 O14842 1/20 0.48
HDAC2 Q92769 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
PLAAT3 P53816 9/20 0.45
PLAAT2 Q9NWW9 9/20 0.45
HDAC1 Q13547 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL8748832 0.93 KEAP1 (0.55) PLAAT5PLAAT4KEAP1ALDH1A1FFAR1
SCHEMBL9404036 0.88 ALDH1A1 (0.56) PLAAT5PLAAT4KEAP1ALDH1A1FFAR1
SCHEMBL9404044 0.85 ALDH1A1 (0.49) PLAAT5PLAAT4KEAP1ALDH1A1FFAR1
SCHEMBL9404020 0.82 HDAC1 (0.58) PLAAT5PLAAT4KEAP1ALDH1A1HDAC2
SCHEMBL2940774 0.81 MEN1 (0.50) ALDH1A1FFAR1TDP1SMN1; SMN2MAPT
SCHEMBL8749106 0.80 ALDH1A1 (0.46) PLAAT5PLAAT4KEAP1ALDH1A1FFAR1
SCHEMBL9404057 0.79 MAPT (0.61) PLAAT5PLAAT4HDAC2HDAC8HDAC6
SCHEMBL27692712 0.79 KEAP1 (0.41) PLAAT5PLAAT4KEAP1ALDH1A1FFAR1
SCHEMBL258545 0.78 KEAP1 (0.67) PLAAT5PLAAT4KEAP1ALDH1A1FFAR1
SCHEMBL4279627 0.78 KEAP1 (0.73) PLAAT5PLAAT4KEAP1ALDH1A1FFAR1

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
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
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
US-4525582-A Silyl, benzyl, p-nitrobenyl, or methyl esters of diazoacetate, a synthon used in the conversion of penicillin to thienamycin MERCK & CO., INC. (US) 1985-06-25 US disclosed
US-4444685-A Stereospecific synthesis of thienamycin from penicillin MERCK & CO., INC. (US) 1984-04-24 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-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 PLAAT5 2086/4885PLAAT4 2740/4885KEAP1 2653/4885
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 PLAAT5 2086/4885PLAAT4 2740/4885KEAP1 2653/4885
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 PLAAT5 2086/4885PLAAT4 2740/4885KEAP1 2653/4885
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 PLAAT5 2086/4885PLAAT4 2740/4885KEAP1 2653/4885
US-20120035258-A1 METHODS OF USING PRODRUGS OF PREGABALIN GABBR1, GABRB2, GABBR2 PLAAT5 1739/4885PLAAT4 1846/4885KEAP1 2678/4885
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 PLAAT5 2086/4885PLAAT4 2740/4885KEAP1 2653/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 PLAAT5 2086/4885PLAAT4 2740/4885KEAP1 2653/4885

“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.