SCHEMBL392042

SCHEMBL392042

CCOc1cc(F)c(F)c(Nc2ccc(F)cc2I)c1NS(=O)(=O)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 15/20 0.53
TSPO P30536 2/20 0.53
HRH1 P35367 1/20 0.50
MAP2K1 Q02750 2/20 0.39
CHEK1 O14757 1/20 0.39
MAP2K2 P36507 1/20 0.39
MAPK10 P53779 1/20 0.39
PRKAG1 P54619 1/20 0.39
ADCK1 Q86TW2 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
TLR4 O00206 3/20 0.36

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
SCHEMBL392369 0.89 MAP2K1 (0.47) MRGPRX1TSPOHRH1MAP2K1CHEK1
SCHEMBL685422 0.75 MAP2K1 (0.61) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL387871 0.73 MAP2K1 (0.58) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL14619722 0.72 MAP2K1 (0.48) MRGPRX1HRH1MAP2K1CHEK1MAP2K2
SCHEMBL19050658 0.69 CHEK1 (0.46) MRGPRX1HRH1MAP2K1CHEK1MAP2K2
SCHEMBL391025 0.69 MAP2K1 (0.47) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL19050690 0.67 MRGPRX1 (0.41) MRGPRX1TSPOHRH1MAP2K1CHEK1
SCHEMBL388251 0.67 MAP2K1 (0.38) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL15284340 0.66 MAP2K1 (0.84) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL15284338 0.66 MAP2K1 (0.84) MAP2K1CHEK1MAP2K2MAPK10PRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261120-A1 SUBSTITUTED N-(2-ARYLAMINO)ARYL SULFONAMIDE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 US claimed
EP-2621486-A1 SUBSTITUTED N-(2-ARYLAMINO)ARYL SULFONAMIDE-CONTAINING COMBINATIONS Bayer Intellectual Property GmbH (DE) 2013-08-07 EP claimed
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US claimed
EP-2558126-A2 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS Bayer Intellectual Property GmbH (DE) 2013-02-20 EP claimed
WO-2012041987-A1 SUBSTITUTED N-(2-ARYLAMINO)ARYL SULFONAMIDE-CONTAINING COMBINATIONS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-05 WO claimed
WO-2011128407-A9 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 WO claimed
WO-2011128407-A2 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-20 WO claimed
US-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. (US) 2017-06-29 US disclosed
US-9381177-B2 Substituted N-(2-arylamino)aryl sulfonamide-containing combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-05 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-8808742-B2 Compositions and methods for preparing and using same ARDEA BIOSCIENCES, INC. (US) 2014-08-19 US disclosed
EP-1912636-B1 N-(ARYLAMINO)-SULFONAMIDE INHIBITORS OF MEK ARDEA BIOSCIENCES INC (US) 2014-06-25 EP disclosed
US-20110060049-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES INCLUDING POLYMORPHS AS INHIBITORS OF MEK AS WELL AS COMPOSITIONS, METHODS OF USE AND METHODS FOR PREPARING THE SAME ARDEA BIOSCIENCES, INC. (US) 2011-03-10 US disclosed
US-20110033539-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME ARDEA BIOSCIENCES, INC (US) 2011-02-10 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
EP-1912636-A2 N-(ARYLAMINO)-SULFONAMIDE INHIBITORS OF MEK Ardea Biosciences, Inc. (US) 2008-04-23 EP 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 MRGPRX1 420/4885TSPO 2396/4885HRH1 1722/4885
US-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 MRGPRX1 1641/4885TSPO 4303/4885HRH1 1890/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 MRGPRX1 3185/4885TSPO 4835/4885HRH1 389/4885
US-20130261120-A1 SUBSTITUTED N-(2-ARYLAMINO)ARYL SULFONAMIDE-CONTAINING COMBINATIONS KIT, CHUK, IKBKB MRGPRX1 3314/4885TSPO 4741/4885HRH1 1046/4885
US-20140378466-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 MRGPRX1 1641/4885TSPO 4303/4885HRH1 1890/4885
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 MRGPRX1 796/4885TSPO 4099/4885HRH1 1533/4885
US-20110060049-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES INCLUDING POLYMORPHS AS INHIBITORS OF MEK AS WELL AS COMPOSITIONS, METHODS OF USE AND METHODS FOR PREPARING THE SAME NRAS, BRAF, MAP3K2 MRGPRX1 2311/4885TSPO 4875/4885HRH1 907/4885
US-20110033539-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME HMGCR, PCSK9, C5 MRGPRX1 2107/4885TSPO 3700/4885HRH1 3640/4885

“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.