SCHEMBL19050669

SCHEMBL19050669

Cc1ccc(Nc2c(NS(=O)(=O)C3CCCC3)ccc(F)c2F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 3/20 0.40
HRH1 P35367 1/20 0.40
BRAF P15056 5/20 0.39
BRD4 O60885 4/20 0.38
TLR4 O00206 1/20 0.37
GLA P06280 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP2K2 P36507 3/20 0.35
MAP2K1 Q02750 3/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
PGAM1 P18669 1/20 0.34

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
SCHEMBL19050673 0.99 MRGPRX1 (0.40) MRGPRX1HRH1BRAFBRD4TLR4
SCHEMBL391647 0.95 MRGPRX1 (0.44) MRGPRX1HRH1BRAFTLR4MEN1
SCHEMBL19049852 0.90 MRGPRX1 (0.39) MRGPRX1HRH1BRAFBRD4TLR4
SCHEMBL19050657 0.87 MEN1 (0.47) MRGPRX1HRH1BRAFBRD4TLR4
SCHEMBL387833 0.86 MAP2K1 (0.51) BRAFMAP2K2MAP2K1
SCHEMBL392673 0.85 MAP2K1 (0.50) BRAFMAP2K2MAP2K1
SCHEMBL14263851 0.83 MAP2K2 (0.40) MEN1MAPK1KMT2AMAP2K2MAP2K1
SCHEMBL19050690 0.83 MRGPRX1 (0.41) MRGPRX1HRH1BRAFTLR4MEN1
SCHEMBL387927 0.83 MAP2K1 (0.44) MRGPRX1BRAFTLR4KMT2AMAP2K2
SCHEMBL391574 0.81 MAP2K1 (0.53) BRAFMAP2K2MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. (US) 2017-06-29 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 (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-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 MRGPRX1 1641/4885HRH1 1890/4885BRAF 1/4885

“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.