SCHEMBL1868658

SCHEMBL1868658

Cc1c(Nc2ccc(I)cc2F)c(NS(=O)(=O)C2CC(OCc3ccccc3)C2)c2n(c1=O)CCN2C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.37
MAP2K2 P36507 7/20 0.32
MAP2K5 Q13163 1/20 0.32
EIF2AK1 Q9BQI3 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
P2RX7 Q99572 1/20 0.32
CA2 P00918 1/20 0.31
CCR8 P51685 1/20 0.31
AURKA O14965 1/20 0.31
TNFRSF1A P19438 1/20 0.31
KDR P35968 1/20 0.31
MAP3K9 P80192 1/20 0.31

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
SCHEMBL12669444 0.89 MAP2K1 (0.38) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL1869978 0.81 MAP2K1 (0.38) MAP2K1MAP2K2MAP2K5EIF2AK1CA2
SCHEMBL1870665 0.81 MAP2K1 (0.38) MAP2K1MAP2K2MAP2K5EIF2AK1TRPV1
SCHEMBL1867119 0.81 MAP2K1 (0.38) MAP2K1MAP2K2MAP2K5EIF2AK1CA2
SCHEMBL2278416 0.77 MAP2K1 (0.40) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL2280078 0.77 MAP2K1 (0.42) MAP2K1MAP2K2AURKATNFRSF1AKDR
SCHEMBL1869579 0.76 MAP2K1 (0.47) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL1869604 0.76 MAP2K1 (0.55) MAP2K1MAP2K2MAP2K5
SCHEMBL1881417 0.74 MAP2K1 (0.43) MAP2K1MAP2K2
SCHEMBL2277649 0.70 MAP2K1 (0.36) MAP2K1MAP2K2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496575-B1 HETEROCYCLIC SULFONAMIDE DERIVATIVES USEFUL AS MEK INHIBITORS NOVARTIS AG (CH) 2014-04-30 EP disclosed
US-8466289-B2 Heterocyclic sulfonamide derivatives NOVARTIS AG (CH) 2013-06-18 US disclosed
EP-2496575-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES USEFUL AS MEK INHIBITORS Novartis AG (CH) 2012-09-12 EP disclosed
US-20110190334-A1 Heterocyclic Sulfonamide Derivatives NOVARTIS AG (CH) 2011-08-04 US disclosed
WO-2011054828-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES USEFUL AS MEK INHIBITORS NOVARTIS AG (CH) 2011-05-12 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-20110190334-A1 Heterocyclic Sulfonamide Derivatives BRAF, KSR2, NRAS MAP2K1 269/4885MAP2K2 184/4885MAP2K5 195/4885

“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.