SCHEMBL9931434

SCHEMBL9931434

CC(C)CS(=O)(=O)Nc1ccc(F)c(C(N)=O)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.49
CYP2C9 P11712 2/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.40
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAP2K1 Q02750 2/20 0.36
CA2 P00918 1/20 0.36
BMPR1B O00238 1/20 0.35
PLK4 O00444 1/20 0.35
PIR O00625 1/20 0.35
AURKA O14965 1/20 0.35
DCLK1 O15075 1/20 0.35
EPHB6 O15197 1/20 0.35
RIPK2 O43353 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
SCHEMBL1462056 0.88 BRAF (0.49) BRAFCYP2C9CYP3A4MAPTALOX5AP
SCHEMBL9930367 0.87 CYP2C9 (0.57) BRAFCYP2C9CYP3A4MAPTALOX5AP
SCHEMBL9930872 0.87 PSIP1 (0.46) BRAFCYP2C9CYP3A4KDM4EALDH1A1
SCHEMBL9930989 0.83 CYP3A4 (0.51) BRAFCYP2C9CYP3A4MAP2K1BMPR1B
SCHEMBL9930639 0.82 CYP2C9 (0.48) BRAFCYP2C9CYP3A4MAPTALOX5AP
SCHEMBL9930938 0.81 BRAF (0.47) BRAFCYP2C9CYP3A4MAPTALOX5AP
SCHEMBL9930125 0.80 BRAF (0.49) BRAFCYP2C9KDM4EALDH1A1HPGD
SCHEMBL22831781 0.79 BRAF (0.47) BRAFCYP2C9CYP3A4MAPTALOX5AP
SCHEMBL29561839 0.79 BRAF (0.47) BRAFCYP2C9CYP3A4MAPTALOX5AP
SCHEMBL9930756 0.79 BRAF (0.46) BRAFKDM4EALDH1A1HPGDHSD17B10

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

“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.