SCHEMBL25501

SCHEMBL25501

CC(=O)OC(C)c1cc([N+](=O)[O-])ccc1OC(=O)Oc1ccc([N+](=O)[O-])cc1C(C)OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
EPHX1 P07099 1/20 0.38
PTGS2 P35354 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CCR6 P51684 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
SCHEMBL10061890 0.94 RECQL (0.50) RECQLSMN1; SMN2LMNAHTTMEN1
SCHEMBL25502 0.91 RECQL (0.44) RECQLSMN1; SMN2LMNAHTTMEN1
SCHEMBL25503 0.91 RECQL (0.44) RECQLSMN1; SMN2LMNAHTTMEN1
SCHEMBL24992 0.88 SMN1; SMN2 (0.40) RECQLSMN1; SMN2LMNAHTTMEN1
SCHEMBL5742089 0.86 SMN1; SMN2 (0.46) RECQLSMN1; SMN2LMNAHTTMEN1
SCHEMBL25821 0.86 TDP1 (0.42) RECQLSMN1; SMN2LMNAKMT2ARAB9A
SCHEMBL5147270 0.85 SMN1; SMN2 (0.43) RECQLSMN1; SMN2LMNAHTTMEN1
SCHEMBL26739 0.84 BCL9 (0.50) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL10079209 0.82 RECQL (0.51) RECQLSMN1; SMN2LMNAHTTMEN1
SCHEMBL10061896 0.82 MAPT (0.47) SMN1; SMN2LMNAHTTMEN1KMT2A

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 37 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-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-20030158254-A1 Engineering absorption of therapeutic compounds via colonic transporters XENOPORT, INC. 2003-08-21 US disclosed
WO-2003065982-A2 ENGINEERING ABSORPTION OF THERAPEUTIC COMPOUNDS VIA COLONIC TRANSPORTERS XENOPORT, INC. (US) 2003-08-14 WO disclosed
WO-2002100347-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2002-12-19 WO disclosed
EP-0800516-B1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORP (JP) 2001-09-19 EP disclosed
US-5866592-A Fibrinogen receptor antagonist and pharmaceutical compositions comprising the same NIPPON STEEL CORPORATION (JP) 1999-02-02 US disclosed
EP-0800516-A1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORPORATION (JP) 1997-10-15 EP disclosed
WO-1996020172-A1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED β-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORPORATION (JP) 1996-07-04 WO disclosed
US-4994484-A 1-(3-(2-hydroxy-3-alkylaminopropoxy)-2-thienyl)-3-phenyl-1-propanones and process for the preparation of the same LAEVOSAN-GESELLSCHAFT M.B.H. (AT) 1991-02-19 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 RECQL 4166/4885SMN1; SMN2 1234/4885LMNA 3012/4885
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 RECQL 4166/4885SMN1; SMN2 1234/4885LMNA 3012/4885
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 RECQL 4166/4885SMN1; SMN2 1234/4885LMNA 3012/4885
US-20120035258-A1 METHODS OF USING PRODRUGS OF PREGABALIN GABBR1, GABRB2, GABBR2 RECQL 3609/4885SMN1; SMN2 2116/4885LMNA 2052/4885
US-20030158254-A1 Engineering absorption of therapeutic compounds via colonic transporters SLC5A6, SLC16A3, SLC16A1 RECQL 1610/4885SMN1; SMN2 2648/4885LMNA 2774/4885
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 RECQL 4166/4885SMN1; SMN2 1234/4885LMNA 3012/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 RECQL 4166/4885SMN1; SMN2 1234/4885LMNA 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.