SCHEMBL9930639

SCHEMBL9930639

CC(C)CS(=O)(=O)Nc1ccc(Cl)c(C(N)=O)c1F

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.48
CYP3A4 P08684 1/20 0.48
BRAF P15056 9/20 0.45
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.37
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL1462058 0.88 CYP2C9 (0.46) CYP2C9CYP3A4BRAFMAPTKMT2A
SCHEMBL9930367 0.87 CYP2C9 (0.57) CYP2C9CYP3A4BRAFMAPTALOX5AP
SCHEMBL9930706 0.87 BRAF (0.45) CYP2C9CYP3A4BRAFKMT2A
SCHEMBL9930598 0.83 BRAF (0.55) CYP2C9CYP3A4BRAF
SCHEMBL9931434 0.82 BRAF (0.49) CYP2C9CYP3A4BRAFMAPTKMT2A
SCHEMBL1462073 0.81 MAPT (0.44) CYP2C9CYP3A4BRAFMAPTKMT2A
SCHEMBL9930275 0.80 BRAF (0.48) CYP2C9CYP3A4BRAFKMT2A
SCHEMBL914674 0.77 CYP2C9 (0.55) CYP2C9CYP3A4BRAFMAPT
SCHEMBL20408709 0.76 CYP2C9 (0.57) CYP2C9CYP3A4BRAFMAPT
SCHEMBL1437434 0.74 BRAF (0.46) CYP2C9CYP3A4BRAFKMT2A

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 CYP2C9 2926/4885CYP3A4 2785/4885BRAF 1/4885
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CYP2C9 2926/4885CYP3A4 2785/4885BRAF 1/4885

“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.