SCHEMBL9930756

SCHEMBL9930756

NC(=O)c1c(F)ccc(NS(=O)(=O)CC2CC2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.46
ACLY P53396 2/20 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
CA2 P00918 1/20 0.35
MAP2K1 Q02750 1/20 0.35
JAK1 P23458 2/20 0.35
KMT2A Q03164 2/20 0.34
PARP1 P09874 1/20 0.33
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL1462061 0.89 BRAF (0.46) BRAFACLYJAK1KMT2A
SCHEMBL9930949 0.87 BRAF (0.54) BRAFACLYJAK1
SCHEMBL9930872 0.83 PSIP1 (0.46) BRAFKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1460854 0.82 BRAF (0.47) BRAFACLYJAK1JAK2TYK2
SCHEMBL9930989 0.80 CYP3A4 (0.51) BRAFMAP2K1
SCHEMBL29561756 0.79 BRAF (0.47) BRAFACLYMAP2K1JAK1JAK2
SCHEMBL22832016 0.79 BRAF (0.47) BRAFACLYMAP2K1JAK1JAK2
SCHEMBL9931434 0.79 BRAF (0.49) BRAFKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9930125 0.79 BRAF (0.49) BRAFKDM4EALDH1A1HPGDHSD17B10
SCHEMBL912670 0.78 BRAF (0.55) BRAFACLYJAK1

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 2 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-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 1/4885ACLY 3944/4885KDM4E 3645/4885
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF BRAF 1/4885ACLY 3944/4885KDM4E 3645/4885

“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.