SCHEMBL19050690

SCHEMBL19050690

Cc1ccc(Nc2c(F)c(F)cc(F)c2NS(=O)(=O)C2CC2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 5/20 0.41
HRH1 P35367 1/20 0.41
BRAF P15056 2/20 0.40
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 1/20 0.37
TLR4 O00206 1/20 0.36
MAP2K1 Q02750 3/20 0.35
MAP2K2 P36507 2/20 0.35
CHEK1 O14757 1/20 0.35
MAPK10 P53779 1/20 0.35
PRKAG1 P54619 1/20 0.35
ADCK1 Q86TW2 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
KIT P10721 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSPO P30536 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
SCHEMBL391647 0.88 MRGPRX1 (0.44) MRGPRX1HRH1BRAFMEN1KMT2A
SCHEMBL14619722 0.87 MAP2K1 (0.48) MRGPRX1HRH1BRAFMEN1KMT2A
SCHEMBL391025 0.85 MAP2K1 (0.47) BRAFMAP2K1MAP2K2CHEK1MAPK10
SCHEMBL19050658 0.84 CHEK1 (0.46) MRGPRX1HRH1BRAFMEN1KMT2A
SCHEMBL19050669 0.83 MRGPRX1 (0.40) MRGPRX1HRH1BRAFMEN1KMT2A
SCHEMBL12407095 0.82 MRGPRX1 (0.51) MRGPRX1HRH1BRAFKMT2ATLR4
SCHEMBL19050673 0.82 MRGPRX1 (0.40) MRGPRX1HRH1BRAFMEN1KMT2A
SCHEMBL19049852 0.80 MRGPRX1 (0.39) MRGPRX1HRH1BRAFMEN1KMT2A
SCHEMBL19050657 0.79 MEN1 (0.47) MRGPRX1HRH1BRAFMEN1KMT2A
SCHEMBL19050821 0.76 MAP2K1 (0.51) MRGPRX1MEN1KMT2AMAPK1MAP2K1

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.