SCHEMBL1992988

SCHEMBL1992988

O=S(=O)(Nc1c(Nc2ccc(Br)cc2F)c(F)c(F)c2ncoc12)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAP2K1 Q02750 7/20 0.35
MAPT P10636 2/20 0.34
KIT P10721 1/20 0.33
BRAF P15056 4/20 0.33
ABCB11 O95342 1/20 0.32
NQO2 P16083 1/20 0.32
MAP2K2 P36507 1/20 0.32

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
SCHEMBL1992129 0.88 IDO1 (0.38) MAP2K1KITBRAFMAP2K2
SCHEMBL1987059 0.84 MAP2K1 (0.35) MAP2K1MAPTBRAFABCB11NQO2
SCHEMBL2049340 0.82 MAP2K1 (0.37) TDP1MAP2K1MAPTBRAF
SCHEMBL12540057 0.77 MAP2K1 (0.38) MAP2K1MAPTABCB11NQO2MAP2K2
SCHEMBL12539792 0.74 MAP2K1 (0.37) MAP2K1MAP2K2
SCHEMBL15129483 0.74 BRAF (0.35) TDP1MAP2K1MAPTKITBRAF
SCHEMBL1341935 0.72 BRD4 (0.34) MAP2K1MAPTBRAF
SCHEMBL1992506 0.72 MAP2K1 (0.36) MAP2K1MAP2K2
SCHEMBL1981292 0.72 MAP2K1 (0.43) MAP2K1MAP2K2
SCHEMBL1343639 0.72 TDP1 (0.41) TDP1MAP2K1MAPTKITBRAF

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 10 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
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
US-20100291151-A1 1-METHYLPYRAZOLE MODULATORS OF SUBSTANCE P, CALCITONIN GENE-RELATED PEPTIDE, ADRENERGIC RECEPTOR, AND/OR 5-HT RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-11-18 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 (2 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-20100291151-A1 1-METHYLPYRAZOLE MODULATORS OF SUBSTANCE P, CALCITONIN GENE-RELATED PEPTIDE, ADRENERGIC RECEPTOR, AND/OR 5-HT RECEPTOR TACR1, HTR3A, HTR3C TDP1 1383/4885ALDH1A1 887/4885MAP2K1 3844/4885
US-20120245209-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES BRAF, NRAS, MAP3K1 TDP1 2643/4885ALDH1A1 510/4885MAP2K1 103/4885

“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.