SCHEMBL10258182

SCHEMBL10258182

COc1cc(F)c(F)c(Nc2ccc(C)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 6/20 0.82
MAP2K2 P36507 4/20 0.82
CHEK1 O14757 1/20 0.82
MAPK10 P53779 1/20 0.82
PRKAG1 P54619 1/20 0.82
ADCK1 Q86TW2 1/20 0.82
PRKAG2 Q9UGJ0 1/20 0.82
CSF1R P07333 1/20 0.37
SCN5A Q14524 10/20 0.36
KCNH2 Q12809 9/20 0.36
CYP3A4 P08684 1/20 0.35
LPAR1 Q92633 1/20 0.35
BRAF P15056 1/20 0.35
MAPK1 P28482 1/20 0.35
MAP2K5 Q13163 1/20 0.35
P2RX7 Q99572 1/20 0.33

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
SCHEMBL12869829 1.00 MAP2K1 (0.82) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL12869782 1.00 MAP2K1 (0.82) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL18088594 0.92 MAP2K1 (0.84) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL19050685 0.92 MAP2K1 (0.72) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL20385641 0.92 MAP2K1 (0.69) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL19050686 0.91 MAP2K1 (0.69) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
Refametinib SCHEMBL10314890 0.90 MAP2K1 (1.00) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
Refametinib SCHEMBL346872 0.90 MAP2K1 (1.00) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
Refametinib SCHEMBL345334 0.90 MAP2K1 (1.00) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
Refametinib SCHEMBL29360059 0.90 MAP2K1 (1.00) MAP2K1MAP2K2CHEK1MAPK10PRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11135263-B2 Novel-anti-infective strategy against influenza virus and S. aureus coinfections ATRIVA THERAPEUTICS GMBH (DE) 2021-10-05 US disclosed
US-20200101130-A1 NOVEL-ANTI-INFECTIVE STRATEGY AGAINST INFLUENZA VIRUS AND S. AUREUS COINFECTIONS ATRIVA THERAPEUTICS GMBH (DE) 2020-04-02 US disclosed
US-10456440-B2 Anti-infective strategy against influenza virus and S. aureus coinfections ATRIVA THERAPEUTICS GMBH (DE) 2019-10-29 US disclosed
EP-2714652-B1 CHIRAL SYNTHESIS OF N-{3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]-6-METHOXYPHENYL}-1-[2,3-DIHYDROXY-PROPYL]CYCLOPROPANESULFONAMIDES BAYER IP GMBH (DE) 2018-07-18 EP disclosed
US-20170209450-A1 MEK INHIBITORS IN THE TREATMENT OF VIRUS DISEASES ATRIVA THERAPEUTICS GMBH (DE) 2017-07-27 US disclosed
US-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. (US) 2017-06-29 US disclosed
US-20170080045-A1 NOVEL-ANTI-INFECTIVE STRATEGY AGAINST INFLUENZA VIRUS AND S. AUREUS COINFECTIONS ATRIVA THERAPEUTICS GMBH (DE) 2017-03-23 US disclosed
US-8101799-B2 Derivatives of N-(arylamino) sulfonamides as inhibitors of MEK ARDEA BIOSCIENCES (US) 2012-01-24 US disclosed
US-7759518-B2 (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 ARDEA BIOSCIENCES (US) 2010-07-20 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-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
WO-2007014011-A2 N-(ARYLAMINO)-SULFONAMIDE INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. (US) 2007-02-01 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 (8 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-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 MAP2K1 32/4885MAP2K2 23/4885CHEK1 391/4885
US-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 MAP2K1 52/4885MAP2K2 48/4885CHEK1 260/4885
US-20170080045-A1 NOVEL-ANTI-INFECTIVE STRATEGY AGAINST INFLUENZA VIRUS AND S. AUREUS COINFECTIONS MAPK1, MAP2K1, MAP2K6 MAP2K1 2/4885MAP2K2 11/4885CHEK1 824/4885
US-20200101130-A1 NOVEL-ANTI-INFECTIVE STRATEGY AGAINST INFLUENZA VIRUS AND S. AUREUS COINFECTIONS MAPK1, MAP2K1, MAP2K6 MAP2K1 2/4885MAP2K2 11/4885CHEK1 824/4885
US-11135263-B2 Novel-anti-infective strategy against influenza virus and S. aureus coinfections MAPK1, MAP2K1, MAP2K6 MAP2K1 2/4885MAP2K2 11/4885CHEK1 824/4885
US-10456440-B2 Anti-infective strategy against influenza virus and S. aureus coinfections MAPK1, MAP2K1, MAP2K6 MAP2K1 2/4885MAP2K2 6/4885CHEK1 780/4885
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 MAP2K1 7/4885MAP2K2 3/4885CHEK1 507/4885
US-20170209450-A1 MEK INHIBITORS IN THE TREATMENT OF VIRUS DISEASES MAPK1, MAP3K1, MAPK4 MAP2K1 30/4885MAP2K2 34/4885CHEK1 1003/4885

“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.