SCHEMBL9930698

SCHEMBL9930698

NC(=O)c1c(F)c(F)cc(NS(=O)(=O)CCCF)c1F

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.44
MAP2K1 Q02750 3/20 0.36
RAF1 P04049 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAP2K4 P45985 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
SCHEMBL9930542 0.85 BRAF (0.53) BRAFMAP2K1RAF1CYP2C9MAP2K4
SCHEMBL9930589 0.84 BRAF (0.54) BRAFMAP2K1RAF1CYP2C9MAP2K4
SCHEMBL1492043 0.80 BRAF (0.43) BRAFRAF1CYP2C9
SCHEMBL14574656 0.80 BRAF (0.46) BRAFMAP2K1RAF1CYP2C9MAP2K4
SCHEMBL9930275 0.79 BRAF (0.48) BRAFMAP2K1RAF1CYP2C9MAP2K4
SCHEMBL29561908 0.77 BRAF (0.43) BRAFCYP2C9
SCHEMBL22832046 0.77 BRAF (0.43) BRAFCYP2C9
SCHEMBL9930125 0.76 BRAF (0.49) BRAFMAP2K1RAF1CYP2C9MAP2K4
SCHEMBL913372 0.74 BRAF (0.55) BRAFMAP2K1RAF1CYP2C9MAP2K4
SCHEMBL912677 0.72 BRAF (0.54) BRAFMAP2K1RAF1CYP2C9MAP2K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2013-01-17 US claimed
US-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2013-01-17 US disclosed
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 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 (2 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-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF BRAF 1/4885MAP2K1 36/4885RAF1 2/4885
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF BRAF 1/4885MAP2K1 36/4885RAF1 2/4885

“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.