SCHEMBL5219912

SCHEMBL5219912

CC(C)(COS(C)(=O)=O)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.39
CA1 P00915 7/20 0.39
CA2 P00918 6/20 0.39
CA14 Q9ULX7 4/20 0.39
CA7 P43166 3/20 0.39
TDP1 Q9NUW8 1/20 0.35
AKT1 P31749 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
APLNR P35414 1/20 0.33
CA9 Q16790 3/20 0.32
PTPRB P23467 1/20 0.32

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
SCHEMBL22123113 0.85 CA12 (0.35) CA12CA1CA2CA14CA7
SCHEMBL12974880 0.83 KDM4E (0.39) CA12CA1CA2CA14CA7
SCHEMBL28568915 0.83 CA12 (0.37) CA12CA1CA2CA14CA7
SCHEMBL18341107 0.81 CA12 (0.36) CA12CA1CA2CA14CA7
SCHEMBL14280306 0.79 TDP1 (0.37) CA12CA1CA2CA14CA7
SCHEMBL4756714 0.78 CA1 (0.41) CA12CA1CA2CA14CA7
SCHEMBL5146359 0.78 CA12 (0.37) CA12CA1CA2CA14CA7
SCHEMBL7923566 0.77 CA2 (0.42) CA12CA1CA2CA14CA7
SCHEMBL1964837 0.76 TDP1 (0.40) CA12CA1CA2CA14CA7
SCHEMBL21187934 0.76 TDP1 (0.38) CA12CA1CA2CA14CA7

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-10844076-B2 Derivatives of 6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine NEKTAR THERAPEUTICS (US) 2020-11-24 US disclosed
CN-108295073-B Polyfluoro compounds as bruton's tyrosine kinase inhibitors 浙江导明医药科技有限公司 2020-06-16 CN disclosed
US-20190071454-A1 DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5-AMINE NEKTAR THERAPEUTICS 2019-03-07 US disclosed
CN-108295073-A Multi-fluorinated compounds are as bruton's tyrosine kinase inhibitor 浙江导明医药科技有限公司 2018-07-20 CN disclosed
CN-106061976-B Polyfluoro compounds as bruton's tyrosine kinase inhibitors 浙江导明医药科技有限公司 2018-05-15 CN disclosed
US-20170065594-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS Zhejiang DTRM Biopharma Co. Ltd. (CN) 2017-03-09 US disclosed
EP-3138842-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON'S TYROSINE KINASE INHIBITORS Zhejiang DTRM Biopharma Co., Ltd. (CN) 2017-03-08 EP disclosed
CN-106061976-A Polyfluoro compounds as bruton's tyrosine kinase inhibitors 浙江导明医药科技有限公司 2016-10-26 CN disclosed
US-20160200730-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS Zhejiang DTRM Biopharma Co. Ltd. (CN) 2016-07-14 US disclosed
WO-2015165279-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON'S TYROSINE KINASE INHIBITORS 浙江导明医药科技有限公司 2015-11-05 WO disclosed
CN-105017256-A Polyfluorinated compound Bruton tyrosine kinase inhibitor ZHEJIANG DAOMING PHARMACEUTICAL CO LTD 2015-11-04 CN disclosed
WO-2015092819-A2 DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5- AMINE NEKTAR THERAPEUTICS (INDIA) PVT. LTD. (IN) 2015-06-25 WO disclosed
US-7846971-B2 N-halogenated amino acids, N,N-dihalogenated amino acids and derivatives; compositions and methods of using them NOVABAY PHARMACEUTICALS, INC. (US) 2010-12-07 US disclosed
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO disclosed
US-4698231-A Sweetening with L-aminodicarboxylic acid amides GENERAL FOOD CORPORATION (US) 1987-10-06 US disclosed
US-4622418-A LOW CALORIE SWEETENERS GENERAL FOODS CORPORATION (US) 1986-11-11 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 (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-20160200730-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS BTK, LCK, LYN CA12 4795/4885CA1 4806/4885CA2 3455/4885
US-10844076-B2 Derivatives of 6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine KCNJ2, TRPC5, RYR2 CA12 3476/4885CA1 2364/4885CA2 200/4885
US-20170065594-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS BTK, LCK, LYN CA12 4795/4885CA1 4806/4885CA2 3455/4885
US-20190071454-A1 DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5-AMINE KCNJ2, TRPC5, RYR2 CA12 3476/4885CA1 2364/4885CA2 200/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 CA12 3919/4885CA1 2419/4885CA2 4158/4885

“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.