SCHEMBL1986257

SCHEMBL1986257

O=S(=O)(Nc1c(Nc2ccc(I)cc2F)c(F)c(F)c2ccoc12)C1CC1COCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.36
CA2 P00918 2/20 0.33
MAP2K2 P36507 2/20 0.33
CHEK1 O14757 1/20 0.33
MAPK10 P53779 1/20 0.33
PRKAG1 P54619 1/20 0.33
ADCK1 Q86TW2 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
AURKA O14965 2/20 0.32
TNFRSF1A P19438 2/20 0.32
KDR P35968 2/20 0.32
MAP3K9 P80192 2/20 0.32
IDO1 P14902 1/20 0.31
ABL1 P00519 1/20 0.30
LCK P06239 1/20 0.30
FGFR1 P11362 1/20 0.30
SRC P12931 1/20 0.30
EPHA2 P29317 1/20 0.30
CLK1 P49759 1/20 0.30
BTK Q06187 1/20 0.30

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
SCHEMBL2048640 0.86 MAP2K1 (0.32) MAP2K1CA2MAP2K2CHEK1MAPK10
SCHEMBL12697013 0.84 MAP2K1 (0.42) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL14151630 0.77 MAP2K1 (0.44) MAP2K1CA2MAP2K2CHEK1MAPK10
SCHEMBL14241152 0.77 MAP2K1 (0.44) MAP2K1CA2MAP2K2CHEK1MAPK10
SCHEMBL14151627 0.77 MAP2K1 (0.44) MAP2K1CA2MAP2K2CHEK1MAPK10
SCHEMBL1869645 0.75 MAP2K1 (0.37) MAP2K1
SCHEMBL12540071 0.74
SCHEMBL2285793 0.74 MAP2K1 (0.37) MAP2K1
SCHEMBL14167577 0.73 MAP2K1 (0.35) MAP2K1CA2
SCHEMBL14151601 0.72 MAP2K1 (0.36) MAP2K1MAP2K2CHEK1MAPK10PRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2509964-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES Novartis AG (CH) 2012-10-17 EP 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 103/4885CA2 2877/4885MAP2K2 77/4885

“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.