SCHEMBL1462085

SCHEMBL1462085

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.59
METAP2 P50579 7/20 0.57
METAP1 P53582 1/20 0.57
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
SLC40A1 Q9NP59 1/20 0.50
ERBB2 P04626 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
BRAF P15056 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL1492020 0.88 FABP4 (0.48) FABP4METAP2METAP1ALDH1A1GAA
SCHEMBL28432709 0.86 ACLY (0.55) FABP4ERBB2HSP90AA1HSP90AB1KMT2A
SCHEMBL28202588 0.84 FABP4 (0.55) FABP4METAP2METAP1ALDH1A1SLC40A1
SCHEMBL1462151 0.83 FABP4 (0.47) FABP4METAP2METAP1ALDH1A1GAA
SCHEMBL14716192 0.80 CYP3A4 (0.48) FABP4SLC40A1BRAF
SCHEMBL3529771 0.80 FABP4 (0.53) FABP4METAP2ALDH1A1BRAFKMT2A
SCHEMBL1462108 0.79 FABP4 (0.51) FABP4METAP2METAP1BRAF
SCHEMBL25450510 0.78 ALDH1A1 (0.56) METAP2ALDH1A1GAAHTTSLC40A1
SCHEMBL1462153 0.78 SLC40A1 (0.52) METAP2ALDH1A1GAAHTTSLC40A1
SCHEMBL1492012 0.78 SLC40A1 (0.52) METAP2ALDH1A1GAAHTTSLC40A1

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 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
WO-2011025938-A2 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 3295/4885METAP2 2970/4885METAP1 1927/4885
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF FABP4 3295/4885METAP2 2970/4885METAP1 1927/4885

“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.