SCHEMBL2880171

SCHEMBL2880171

CC(C)(C)OC(=O)NCCCC(=O)OCCl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
CA1 P00915 10/20 0.49
CA2 P00918 10/20 0.49
CA12 O43570 6/20 0.49
CA9 Q16790 6/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
TPSAB1 Q15661 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 0.46
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
EPHX1 P07099 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL6939488 0.95 TDP1 (0.57) TDP1MEN1KMT2AGAACA1
SCHEMBL423505 0.94 TDP1 (0.59) TDP1MEN1KMT2AGAACA1
SCHEMBL21423964 0.94 TDP1 (0.59) TDP1MEN1KMT2AGAACA1
SCHEMBL3198212 0.90 TDP1 (0.49) TDP1MEN1KMT2AGAACA1
SCHEMBL13288254 0.88 TDP1 (0.59) TDP1MEN1KMT2AGAACA1
SCHEMBL572949 0.85 TDP1 (0.56) TDP1MEN1KMT2AGAACA1
SCHEMBL6938771 0.85 TDP1 (0.59) TDP1MEN1KMT2AGAACA1
SCHEMBL27437838 0.84 TDP1 (0.62) TDP1MEN1KMT2AGAACA1
SCHEMBL23477276 0.83 TDP1 (0.61) TDP1MEN1KMT2AGAACA1
SCHEMBL20351213 0.83 EPHX1 (0.48) EPHX1HTTALDH1A1SMN1; SMN2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210015933-A1 BIOACTIVE CARBOXYLIC ACID TYPE COMPOUND-POLYMER CONJUGATE, AND METHOD FOR MANUFACTURING THE SAME SEIKAGAKU CORPORATION (JP) 2021-01-21 US disclosed
WO-2018121678-A1 PRODRUG OF ANTIVIRAL NUCLEOSIDE ANALOGUES, AND COMPOSITION AND USE THEREOF 广东东阳光药业有限公司 2018-07-05 WO disclosed
US-8722923-B2 Conjugates for treating neurodegenerative diseases and disorders RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2014-05-13 US disclosed
US-20130059910-A1 CONJUGATES COMPRISING A GABA- OR GLYCINE COMPOUND, PHARMACEUTICAL COMPOSITIONS AND COMBINATIONS THEREOF AS WELL AS THEIR USE IN TREATING CNS DISORDERS BAR-ILAN UNIVERSITY (IL) 2013-03-07 US disclosed
US-20130059910-A1 CONJUGATES COMPRISING A GABA- OR GLYCINE COMPOUND, PHARMACEUTICAL COMPOSITIONS AND COMBINATIONS THEREOF AS WELL AS THEIR USE IN TREATING CNS DISORDERS BAR-ILAN UNIVERSITY (IL) 2013-03-07 US disclosed
US-20130059910-A1 CONJUGATES COMPRISING A GABA- OR GLYCINE COMPOUND, PHARMACEUTICAL COMPOSITIONS AND COMBINATIONS THEREOF AS WELL AS THEIR USE IN TREATING CNS DISORDERS BAR-ILAN UNIVERSITY (IL) 2013-03-07 US disclosed
US-8377990-B2 Conjugates comprising a psychotropic drug or a GABA agonist and an organic acid and their use in treating pain and other CNS disorders RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2013-02-19 US disclosed
US-8377990-B2 Conjugates comprising a psychotropic drug or a GABA agonist and an organic acid and their use in treating pain and other CNS disorders RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2013-02-19 US disclosed
US-8377990-B2 Conjugates comprising a psychotropic drug or a GABA agonist and an organic acid and their use in treating pain and other CNS disorders RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2013-02-19 US disclosed
US-20120277310-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS BAR-ILAN UNIVERSITY (IL) 2012-11-01 US disclosed
EP-2051735-B1 CONJUGATES COMPRISING A PSYCHOTROPIC DRUG OR A GABA AGONIST AND AN ORGANIC ACID AND THEIR USE TREATING PAIN AND OTHER CNS DISORDERS UNIV RAMOT (IL) 2012-08-29 EP disclosed
US-8207369-B2 Conjugates for treating neurodegenerative diseases and disorders RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2012-06-26 US disclosed
US-20110034553-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2011-02-10 US disclosed
US-20100144869-A1 Conjugates Comprising a gaba-or glycine compound, pharmaceutical compositions and combinations thereof as well as their use in treating cns disorders BAR-ILAN UNIVERSITY (IL) 2010-06-10 US disclosed
US-20100144869-A1 Conjugates Comprising a gaba-or glycine compound, pharmaceutical compositions and combinations thereof as well as their use in treating cns disorders BAR-ILAN UNIVERSITY (IL) 2010-06-10 US disclosed
US-20100144869-A1 Conjugates Comprising a gaba-or glycine compound, pharmaceutical compositions and combinations thereof as well as their use in treating cns disorders BAR-ILAN UNIVERSITY (IL) 2010-06-10 US disclosed
US-7521439-B2 Glucocorticoid receptor ligands for the treatment of metabolic disorders KARO BIO AB (SE) 2009-04-21 US disclosed
US-7521439-B2 Glucocorticoid receptor ligands for the treatment of metabolic disorders KARO BIO AB (SE) 2009-04-21 US disclosed
US-20070027117-A1 Novel glucocorticoid receptor ligands for the treatment of metabolic disorders BISHOP RICHARD D 2007-02-01 US disclosed
US-20070027117-A1 Novel glucocorticoid receptor ligands for the treatment of metabolic disorders BISHOP RICHARD D 2007-02-01 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 (6 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-20210015933-A1 BIOACTIVE CARBOXYLIC ACID TYPE COMPOUND-POLYMER CONJUGATE, AND METHOD FOR MANUFACTURING THE SAME HCAR1, HCAR2, MCCC2 TDP1 4178/4885MEN1 2134/4885KMT2A 2971/4885
US-20130059910-A1 CONJUGATES COMPRISING A GABA- OR GLYCINE COMPOUND, PHARMACEUTICAL COMPOSITIONS AND COMBINATIONS THEREOF AS WELL AS THEIR USE IN TREATING CNS DISORDERS GABBR1, GABRG3, GABBR2 TDP1 1506/4885MEN1 4204/4885KMT2A 1730/4885
US-20120277310-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS SLC18A2, GABRB2, SLC6A13 TDP1 328/4885MEN1 4317/4885KMT2A 1823/4885
US-20110034553-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS SLC18A2, SNCA, SLC6A13 TDP1 262/4885MEN1 4050/4885KMT2A 1498/4885
US-20070027117-A1 Novel glucocorticoid receptor ligands for the treatment of metabolic disorders GPR119, NR3C1, INSR TDP1 4647/4885MEN1 2794/4885KMT2A 3848/4885
US-20100144869-A1 Conjugates Comprising a gaba-or glycine compound, pharmaceutical compositions and combinations thereof as well as their use in treating cns disorders GABBR1, GABRG3, GABBR2 TDP1 1506/4885MEN1 4204/4885KMT2A 1730/4885

“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.