SCHEMBL2049340

SCHEMBL2049340

Cc1nc2c(F)c(F)c(Nc3ccc(Br)cc3F)c(NS(=O)(=O)C3CC3)c2o1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 7/20 0.37
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
NMT1 P30419 1/20 0.35
BRAF P15056 1/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
VSIR Q9H7M9 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL2004405 0.89 IDO1 (0.37) MAP2K1BRAFKMT2ATDP1
SCHEMBL1992988 0.82 TDP1 (0.36) MAP2K1MAPTBRAFTDP1
SCHEMBL12540652 0.77 MAP2K1 (0.47) MAP2K1
SCHEMBL1341935 0.77 BRD4 (0.34) MAP2K1MAPTTP53NMT1BRAF
SCHEMBL1980229 0.74 MAP2K1 (0.42) MAP2K1
SCHEMBL1343639 0.72 TDP1 (0.41) MAP2K1MAPTTP53BRAFKMT2A
SCHEMBL1992129 0.71 IDO1 (0.38) MAP2K1BRAF
SCHEMBL1516484 0.70 MAP2K1 (0.58) MAP2K1BRAFALOX15TSHR
SCHEMBL4230018 0.69 KMT2A (0.46) MAP2K1NMT1BRAFALOX15TSHR
SCHEMBL1984529 0.69 ALOX15 (0.32) NMT1ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509964-B1 Heterocyclic sulfonamide derivatives NOVARTIS AG (CH) 2014-04-30 EP claimed
US-8614239-B2 Heterocyclic sulfonamide derivatives NOVARTIS AG (CH) 2013-12-24 US claimed
US-20120245209-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2012-09-27 US claimed
EP-2509964-B1 Heterocyclic sulfonamide derivatives NOVARTIS AG (CH) 2014-04-30 EP disclosed
US-8614239-B2 Heterocyclic sulfonamide derivatives NOVARTIS AG (CH) 2013-12-24 US disclosed
US-20120245209-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2012-09-27 US disclosed
US-20120245209-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2012-09-27 US disclosed
WO-2011070030-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2011-06-16 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-20120245209-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES BRAF, NRAS, MAP3K1 MAP2K1 103/4885MAPT 4586/4885TP53 161/4885

“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.