SCHEMBL685354

SCHEMBL685354

CC(C)C(=O)OC1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ATM Q13315 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
CYP1A2 P05177 3/20 0.38
TSHR P16473 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ELANE P08246 1/20 0.38
SLC6A4 P31645 1/20 0.37

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
SCHEMBL2740693 0.83 POLB (0.45) POLBKMT2AMEN1HDAC3HDAC4
SCHEMBL21778856 0.81 POLB (0.46) POLBKMT2AHDAC3HDAC4HDAC7
SCHEMBL7561924 0.81 TSHR (0.47) POLBKMT2AMEN1ATMHDAC3
SCHEMBL13561351 0.81 HTR2A (0.46) POLBKMT2AMEN1HDAC4HDAC7
SCHEMBL27563105 0.80 POLB (0.42) POLBKMT2AHDAC3HDAC4HDAC7
SCHEMBL434649 0.79 POLB (0.52) POLBKMT2AMEN1HDAC3HDAC4
SCHEMBL4402923 0.79 POLB (0.71) POLBKMT2AMEN1HDAC3HDAC4
SCHEMBL30341829 0.79 POLB (0.71) POLBKMT2AMEN1HDAC3HDAC4
SCHEMBL17426002 0.79 POLB (0.50) POLBKMT2AMEN1CYP1A2TSHR
SCHEMBL4265489 0.78 CYP2D6 (0.41) POLBKMT2ACYP1A2TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112341359-B Fluorenoxime ester compound, preparation method and application thereof 常州强力电子新材料股份有限公司 2022-05-06 CN disclosed
CN-112341359-A Fluorenoxime ester compound, preparation method and application thereof 常州强力电子新材料股份有限公司 2021-02-09 CN disclosed
US-20170281601-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. 2017-10-05 US disclosed
US-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. (US) 2017-06-29 US disclosed
US-20160221970-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. 2016-08-04 US disclosed
US-20160221969-A1 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. 2016-08-04 US disclosed
US-9212135-B2 Phenylthioacetate compounds, compositions and methods of use ARDEA BIOSCIENCES, INC. (US) 2015-12-15 US disclosed
US-20150322006-A1 PHENYLTHIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. 2015-11-12 US disclosed
US-20140378466-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK ARDEA BIOSCIENCES (US) 2014-12-25 US disclosed
US-8829052-B2 Derivatives of N-(arylamino)sulfonamides as inhibitors of MEK ARDEA BIOSCIENCES, INC. (US) 2014-09-09 US disclosed
US-20090197825-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2009-08-06 US disclosed
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES (US) 2009-06-25 US disclosed
US-20090082457-A1 (S)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide; MEK kinase (mitogen-activated ERK-activating kinases, MAP kinase kinase); cancer, tumors, autoimmune disorders, ischemia, rheumatoid arthritis, multiple sclerosis, psoriasis, restenosis ANDREA BIOSCIENCES, INC. (US) 2009-03-26 US disclosed
US-20080233606-A1 to determine activity of cytochrome P450 by monitoring appearance of metabolites that arise from enzyme-specific reactions using probe substrates for each cytochrome P450 enzyme; accuracy available with mass spectroscopy-based methods without limitations of high throughput fluorescence-based methods HADDACH MUSTAPHA 2008-09-25 US disclosed
US-20080227851-A1 LAULIMALIDE AND LAULIMALIDE ANALOGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-18 US disclosed
US-20080176871-A1 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-07-24 US disclosed
US-20080058340-A1 MEK kinase (mitogen-activated ERK-activating kinases or MAP kinase kinase); cancer, tumors, infections, autoimmune disorders, stroke, ischemia, rheumatoid arthritis, multiple sclerosis, psoriasis, restenosis; 1-sulfonamido-2-(phenylamino)-4-fluorobenzene compounds ARDEA BIOSCIENCES, INC. (US) 2008-03-06 US disclosed
US-20080045497-A1 SUBSTITUTED ANILINE DERIVATIVES UCB PHARMA S.A. (BE) 2008-02-21 US disclosed
US-20070244164-A1 PYRIDONE SULFONAMIDES AND PYRIDONE SULFAMIDES AS MEK INHIBITORS ARDEA BIOSCIENCES (US) 2007-10-18 US disclosed
US-20070238710-A1 N-ARYL-N'ALKYL SULFAMIDES AS MEK INHIBITORS ARDEA BIOSCIENCES (US) 2007-10-11 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 (16 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-20080227851-A1 LAULIMALIDE AND LAULIMALIDE ANALOGS SSB, LPXN, LTA POLB 114/4885KMT2A 4481/4885MEN1 326/4885
US-20080058340-A1 MEK kinase (mitogen-activated ERK-activating kinases or MAP kinase kinase); cancer, tumors, infections, autoimmune disorders, stroke, ischemia, rheumatoid arthritis, multiple sclerosis, psoriasis, restenosis; 1-sulfonamido-2-(phenylamino)-4-fluorobenzene compounds BRAF, MAPK1, MAPK12 POLB 756/4885KMT2A 1629/4885MEN1 1092/4885
US-20080176871-A1 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS CYCS, DCK, NSUN2 POLB 60/4885KMT2A 925/4885MEN1 4877/4885
US-20080233606-A1 to determine activity of cytochrome P450 by monitoring appearance of metabolites that arise from enzyme-specific reactions using probe substrates for each cytochrome P450 enzyme; accuracy available with mass spectroscopy-based methods without limitations of high throughput fluorescence-based methods CYP2E1, CYP3A43, CYP3A4 POLB 2088/4885KMT2A 3626/4885MEN1 4654/4885
US-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 POLB 2063/4885KMT2A 502/4885MEN1 1666/4885
US-20070238710-A1 N-ARYL-N'ALKYL SULFAMIDES AS MEK INHIBITORS NRAS, BRAF, HRAS POLB 2148/4885KMT2A 327/4885MEN1 1733/4885
US-20090197825-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS POLB 1828/4885KMT2A 3006/4885MEN1 3842/4885
US-20160221969-A1 Compounds, compositions and methods of using same for modulating uric acid levels XDH, PON1, OAT POLB 2505/4885KMT2A 2164/4885MEN1 3374/4885
US-20080045497-A1 SUBSTITUTED ANILINE DERIVATIVES DPM1, ERG28, IL4I1 POLB 2192/4885KMT2A 2035/4885MEN1 552/4885
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR1E, TYMP POLB 12/4885KMT2A 702/4885MEN1 4828/4885
US-20140378466-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 POLB 2063/4885KMT2A 502/4885MEN1 1666/4885
US-20090082457-A1 (S)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide; MEK kinase (mitogen-activated ERK-activating kinases, MAP kinase kinase); cancer, tumors, autoimmune disorders, ischemia, rheumatoid arthritis, multiple sclerosis, psoriasis, restenosis BRAF, MAPK1, MAP2K2 POLB 1669/4885KMT2A 1554/4885MEN1 2467/4885
US-20160221970-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS POLB 1828/4885KMT2A 3006/4885MEN1 3842/4885
US-20150322006-A1 PHENYLTHIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE PON1, NUDT1, HPRT1 POLB 1037/4885KMT2A 1491/4885MEN1 2901/4885
US-20170281601-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS POLB 1828/4885KMT2A 3006/4885MEN1 3842/4885
US-20070244164-A1 PYRIDONE SULFONAMIDES AND PYRIDONE SULFAMIDES AS MEK INHIBITORS BRAF, PDXK, MAP3K20 POLB 1869/4885KMT2A 836/4885MEN1 1983/4885

“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.