SCHEMBL1492020

SCHEMBL1492020

NC(=O)c1c(F)ccc(NS(=O)(=O)c2ccccc2)c1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.48
SLC40A1 Q9NP59 2/20 0.48
METAP2 P50579 4/20 0.48
METAP1 P53582 1/20 0.48
BRAF P15056 1/20 0.47
ERBB2 P04626 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
KMT2A Q03164 1/20 0.46
IKBKB O14920 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
F2 P00734 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44

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
SCHEMBL1462151 0.94 FABP4 (0.47) FABP4SLC40A1METAP2METAP1BRAF
SCHEMBL1462085 0.88 FABP4 (0.59) FABP4SLC40A1METAP2METAP1BRAF
SCHEMBL3020511 0.87 CYP3A4 (0.55) BRAF
SCHEMBL3022486 0.84 FABP4 (0.50) FABP4BRAFALDH1A1
SCHEMBL3029913 0.84 CYP3A4 (0.56) SLC40A1BRAF
SCHEMBL3024185 0.84 CYP2C9 (0.63) KMT2A
SCHEMBL3026115 0.83 CYP2D6 (0.46) FABP4SLC40A1
SCHEMBL3026664 0.83 HSD17B2 (0.50) KMT2AALDH1A1
SCHEMBL3017378 0.83 CYP2C19 (0.60) FABP4METAP2KMT2AALDH1A1KEAP1
SCHEMBL3027191 0.81 CYP3A4 (0.61) METAP2ALDH1A1

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 6 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
EP-2493865-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-09-05 EP disclosed
EP-2470538-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 US disclosed
WO-2011025940-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 WO 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 FABP4 3295/4885SLC40A1 2345/4885METAP2 2970/4885
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF FABP4 3295/4885SLC40A1 2345/4885METAP2 2970/4885

“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.