SCHEMBL9930367

SCHEMBL9930367

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.57
CYP3A4 P08684 2/20 0.57
BRAF P15056 14/20 0.53
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.40
MAP2K4 P45985 2/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
BMPR1B O00238 1/20 0.38
PLK4 O00444 1/20 0.38
PIR O00625 1/20 0.38
AURKA O14965 1/20 0.38
DCLK1 O15075 1/20 0.38
EPHB6 O15197 1/20 0.38
RIPK2 O43353 1/20 0.38
STK16 O75716 1/20 0.38
OXSR1 O95747 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
RAF1 P04049 1/20 0.38

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
SCHEMBL914674 0.88 CYP2C9 (0.55) CYP2C9CYP3A4BRAFMAPTCYP2C19
SCHEMBL9930639 0.87 CYP2C9 (0.48) CYP2C9CYP3A4BRAFMAPTALOX5AP
SCHEMBL9931434 0.87 BRAF (0.49) CYP2C9CYP3A4BRAFMAPTMAP2K4
SCHEMBL20408709 0.86 CYP2C9 (0.57) CYP2C9CYP3A4BRAFMAPTCYP2C19
SCHEMBL9931060 0.86 BRAF (0.49) CYP2C9CYP3A4BRAFCYP2C19MAP2K4
SCHEMBL26401647 0.85 CYP2C9 (0.42) CYP2C9CYP3A4BRAFCYP2C19MAP2K1
SCHEMBL1492058 0.82 CYP3A4 (0.60) CYP2C9CYP3A4BRAFCYP2C19MAP2K4
SCHEMBL1492048 0.81 CYP2C9 (0.48) CYP2C9CYP3A4BRAFMAPTCYP2C19
SCHEMBL26401518 0.80 MAP2K4 (0.43) CYP2C9CYP3A4BRAFMAPTMAP2K4
SCHEMBL9930589 0.78 BRAF (0.54) CYP2C9CYP3A4BRAFCYP2C19MAP2K4

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.