SCHEMBL26658

SCHEMBL26658

CC(=O)C(=[N+]=[N-])C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
LMNA P02545 2/20 0.42
HCAR2 Q8TDS4 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
MAOB P27338 1/20 0.41
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL30115183 0.90 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL31228371 0.88 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL8404254 0.84 ALDH1A1 (0.49) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL23828169 0.83 ALDH1A1 (0.59) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL5245374 0.83 ALDH1A1 (0.47) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL25600101 0.82 ALDH1A1 (0.46) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL27549934 0.82 ALDH1A1 (0.46) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL4915829 0.81 ALDH1A1 (0.45) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL13234406 0.81 ALDH1A1 (0.70) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL13234395 0.81 ALDH1A1 (0.70) ALDH1A1TDP1MAPK1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 US disclosed
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2018-03-15 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-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-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
EP-0414904-B1 PREPARATION OF ENOL SILYL ETHER COMPOUNDS KANEGAFUCHI CHEMICAL IND (JP) 1995-03-29 EP disclosed
US-5071966-A PROCESS FOR PREPARING AN ENOL SILYL ETHER COMPOUND KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-12-10 US disclosed
EP-0414904-A1 PREPARATION OF ENOL SILYL ETHER COMPOUNDS KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-03-06 EP disclosed
US-4683296-A ANTIBIOTICS, SILATION BRISTOL-MYERS COMPANY (US) 1987-07-28 US disclosed
CN-86102077-A Carbonization penem intermediates preparation 1987-01-28 CN 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 (8 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-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885TDP1 504/4885MAPK1 4119/4885
US-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885TDP1 1112/4885MAPK1 4760/4885
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885TDP1 1112/4885MAPK1 4760/4885
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885TDP1 504/4885MAPK1 4119/4885
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885TDP1 1112/4885MAPK1 4760/4885
US-20120035258-A1 METHODS OF USING PRODRUGS OF PREGABALIN GABBR1, GABRB2, GABBR2 ALDH1A1 606/4885TDP1 1583/4885MAPK1 4379/4885
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885TDP1 1112/4885MAPK1 4760/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885TDP1 1112/4885MAPK1 4760/4885

“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.