SCHEMBL299404

SCHEMBL299404

O=C(c1cc(NS(=O)(=O)N2CCCCC2)ccc1F)c1c[nH]c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.44
FKBP1A P62942 5/20 0.42
KMT2A Q03164 3/20 0.42
GLA P06280 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAP2K1 Q02750 1/20 0.40
KIT P10721 2/20 0.40
COMT P21964 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NEK2 P51955 1/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL297867 0.86 BRAF (0.50) BRAFFKBP1AKMT2AGLAMAP2K1
SCHEMBL297491 0.83 BRAF (0.51) BRAFMAP2K1MAPK1NEK2CYP3A4
SCHEMBL298381 0.83 BRAF (0.44) BRAFMAP2K1COMTNEK2
SCHEMBL297240 0.82 BRAF (0.56) BRAFMAP2K1KITNEK2CYP3A4
SCHEMBL296369 0.82 BRAF (0.44) BRAFMAP2K1COMTNEK2KDR
SCHEMBL299590 0.82 BRAF (0.46) BRAFMAP2K1KITNEK2CYP3A4
SCHEMBL29652320 0.81 CYP2C9 (0.47) BRAFKMT2AKDM4EMEN1GAA
SCHEMBL299276 0.81 BRAF (0.48) BRAFMAP2K1HTTNEK2CYP3A4
SCHEMBL298074 0.80 CLK1 (0.46) BRAFKMT2AKDM4EMEN1HPGD
SCHEMBL298469 0.79 ALDH1A1 (0.47) BRAFKMT2AKDM4EMEN1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 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 (1 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF BRAF 1/4885FKBP1A 1091/4885KMT2A 714/4885

“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.