SCHEMBL391013

SCHEMBL391013

O=S(=O)(Nc1ccc(F)c(F)c1Nc1ccc(I)cc1F)c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.52
MAP2K2 P36507 11/20 0.52
PTGES2 Q9H7Z7 2/20 0.43
CA2 P00918 1/20 0.42
PIM1 P11309 1/20 0.41
CAMK2B Q13554 1/20 0.41
KAT6A Q92794 1/20 0.41

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
SCHEMBL391179 0.86 MAP2K1 (0.57) MAP2K1MAP2K2CA2PIM1CAMK2B
SCHEMBL19050912 0.85 KIT (0.43) PTGES2KAT6A
SCHEMBL5090048 0.85 PTGES2 (0.51) MAP2K1MAP2K2PTGES2
SCHEMBL392146 0.85 BRD4 (0.46) MAP2K1MAP2K2CA2
SCHEMBL392182 0.82 MAP2K1 (0.49) MAP2K1MAP2K2CA2
SCHEMBL392027 0.81 MAP2K1 (0.58) MAP2K1MAP2K2CA2PIM1CAMK2B
SCHEMBL393022 0.81 MAP2K1 (0.47) MAP2K1MAP2K2CA2PIM1CAMK2B
SCHEMBL390803 0.81 MAP2K1 (0.47) MAP2K1MAP2K2CA2PIM1CAMK2B
SCHEMBL388160 0.81 MAP2K1 (0.47) MAP2K1MAP2K2CA2PIM1CAMK2B
SCHEMBL390799 0.81 MAP2K1 (0.47) MAP2K1MAP2K2CA2PIM1CAMK2B

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 53 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-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. (US) 2017-06-29 US disclosed
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-20140378466-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK ARDEA BIOSCIENCES (US) 2014-12-25 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-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
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-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 (6 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 23/4885PTGES2 1248/4885
US-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 MAP2K1 52/4885MAP2K2 48/4885PTGES2 1595/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 MAP2K1 27/4885MAP2K2 32/4885PTGES2 4171/4885
US-20130261120-A1 SUBSTITUTED N-(2-ARYLAMINO)ARYL SULFONAMIDE-CONTAINING COMBINATIONS KIT, CHUK, IKBKB MAP2K1 358/4885MAP2K2 408/4885PTGES2 1322/4885
US-20140378466-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 MAP2K1 52/4885MAP2K2 48/4885PTGES2 1595/4885
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 3/4885PTGES2 758/4885

“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.