Sugi Predict

Sugi Predict / Compounds / SCHEMBL655195

SCHEMBL655195

SCHEMBL655195

Cc1cc(N(C)C(=O)OC(C)(C)C)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ ESR1 P03372 7/20 0.42
▸ NR1H4 Q96RI1 1/20 0.38
▸ CREBBP Q92793 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ESR2 Q92731 4/20 0.37
▸ AR P10275 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ RGS12 O14924 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ PKM P14618 1/20 0.34

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
SCHEMBL27630345 0.88 BRD4 (0.42) BRD4PAX8ESR1NR1H4CREBBP
SCHEMBL30369986 0.84 S100B (0.42) BRD4PAX8ESR1CREBBPTDP1
SCHEMBL18157854 0.84 S100B (0.42) BRD4PAX8ESR1CREBBPTDP1
SCHEMBL27650496 0.84 BRD4 (0.42) BRD4PAX8ESR1NR1H4CREBBP
SCHEMBL27650503 0.84 NR1H4 (0.48) BRD4PAX8NR1H4CREBBPLMNA
SCHEMBL24072766 0.83 RXRB (0.42) BRD4PAX8NR1H4CREBBPTDP1
SCHEMBL30339105 0.83 RXRB (0.42) BRD4PAX8NR1H4CREBBPTDP1
SCHEMBL27650497 0.83 ESR1 (0.41) BRD4PAX8ESR1NR1H4CREBBP
SCHEMBL8018111 0.82 PAX8 (0.55) BRD4PAX8CREBBPLMNAMEN1
SCHEMBL13404760 0.82 PAX8 (0.43) BRD4PAX8CREBBPLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628666-B1 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS INC (US) 2015-09-23 — — EP disclosed
US-8119680-B2 α-Haloketone derivatives of imidazolyl-substituted aromatic compounds and compounds prepared therefrom NEUROGENETIC PHARMACEUTICALS, INC. (US) 2012-02-21 — — US disclosed
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 — — US disclosed
CN-1875002-B Phenyl derivatives as PPAR agonists HOFFMANN LA ROCHE 2011-08-03 — — CN disclosed
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM NEUROGENETIC PHARMACEUTICALS, INC 2010-12-30 — — US disclosed
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS, INC. 2010-12-23 — — US disclosed
US-7799808-B2 α-Haloketone derivatives of imidazolyl-substituted aromatic compounds and compounds prepared therefrom NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-09-21 — — US disclosed
US-7781442-B2 Compounds and uses thereof in modulating amyloid beta NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-08-24 — — US disclosed
EP-1628666-A4 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA TORREYPINES THERAPEUTICS INC (US) 2007-12-05 — — EP disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 — — US disclosed
US-20070249833-A1 such as 2-bromo-1-[6-(4-methyl-imidazole-1-yl)-pyridin-3-yl]-ethanone, which have activity in modulating levels of amyloid-beta, useful in the treatment of neurodegenerative diseases, such as Alzheimer's disease TORREYPINES THERAPEUTICS INC. 2007-10-25 — — US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 — — US disclosed
CN-1875002-A Phenyl derivatives as PPAR agonists HOFFMANN LA ROCHE (CH) 2006-12-06 — — CN disclosed
CN-1809541-A Aniline derivatives HOFFMANN LA ROCHE (CH) 2006-07-26 — — CN disclosed
EP-1628666-A2 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA Torreypines Therapeutics, Inc. (US) 2006-03-01 — — EP disclosed
US-20050070538-A1 Compounds and uses thereof in modulating amyloid beta SIROCCO THERAPEUTICS, INC. 2005-03-31 — — US disclosed
WO-2004110350-A2 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA TORREYPINES THERAPEUTICS, INC. (US) 2004-12-23 — — 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 (5 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-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA APP, BACE1, BACE2 BRD4 1374/4885PAX8 4053/4885ESR1 4698/4885
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 BRD4 1374/4885PAX8 4053/4885ESR1 4698/4885
US-20050070538-A1 Compounds and uses thereof in modulating amyloid beta APP, BACE1, BACE2 BRD4 1374/4885PAX8 4053/4885ESR1 4698/4885
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM HYPK, APP, NEFM BRD4 1816/4885PAX8 3741/4885ESR1 4704/4885
US-20070249833-A1 such as 2-bromo-1-[6-(4-methyl-imidazole-1-yl)-pyridin-3-yl]-ethanone, which have activity in modulating levels of amyloid-beta, useful in the treatment of neurodegenerative diseases, such as Alzheimer's disease PSEN2, APP, BACE1 BRD4 33/4885PAX8 3458/4885ESR1 3182/4885

“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.