SCHEMBL10254759

SCHEMBL10254759

C=CCC(C)(C)S(=O)(=O)Nc1c(OC)cc(F)c(F)c1Nc1ccc(I)cc1F

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.55
MAP2K2 P36507 4/20 0.55
CHEK1 O14757 1/20 0.55
MAPK10 P53779 1/20 0.55
PRKAG1 P54619 1/20 0.55
ADCK1 Q86TW2 1/20 0.55
PRKAG2 Q9UGJ0 1/20 0.55
CA2 P00918 3/20 0.41
PIM1 P11309 1/20 0.36
CAMK2B Q13554 1/20 0.36
FLT1 P17948 1/20 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
SCHEMBL12807998 0.93 MAP2K1 (0.47) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL10254216 0.89 MAP2K1 (0.42) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL389984 0.81 MAP2K1 (0.62) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL345633 0.80 MAP2K1 (0.71) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL685422 0.77 MAP2K1 (0.61) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL12869983 0.77 MAP2K1 (0.61) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL13941493 0.76 MAP2K1 (0.81) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL14127547 0.75 MAP2K1 (0.69) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL387871 0.75 MAP2K1 (0.58) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL391748 0.74 MAP2K1 (0.79) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101799-B2 Derivatives of N-(arylamino) sulfonamides as inhibitors of MEK ARDEA BIOSCIENCES (US) 2012-01-24 US disclosed
US-8101799-B2 Derivatives of N-(arylamino) sulfonamides as inhibitors of MEK ARDEA BIOSCIENCES (US) 2012-01-24 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.