SCHEMBL2195232

SCHEMBL2195232

CCN(CC)CCNc1nccc(-c2sc(C3CCOCC3)nc2-c2cccc(NS(=O)(=O)c3ccoc3)c2F)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 5/20 0.46
BRAF P15056 15/20 0.46
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
KCNH2 Q12809 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL1127535 0.90 NR1I2 (0.48) NR1I2BRAFHDAC1HDAC6HDAC3
SCHEMBL2193426 0.88 NR1I2 (0.48) NR1I2BRAFHDAC1HDAC6HDAC3
SCHEMBL2196271 0.88 NR1I2 (0.48) NR1I2BRAFHDAC1HDAC6HDAC3
SCHEMBL2192185 0.87 NR1I2 (0.48) NR1I2BRAFHDAC1HDAC6HDAC3
SCHEMBL2194023 0.87 BRAF (0.53) NR1I2BRAFHDAC1HDAC6HDAC3
SCHEMBL2193507 0.87 BRAF (0.53) NR1I2BRAFHDAC1HDAC6HDAC3
SCHEMBL2193461 0.86 BRAF (0.49) NR1I2BRAFHDAC1HDAC6HDAC3
SCHEMBL2195593 0.86 NR1I2 (0.49) NR1I2BRAFHDAC1HDAC6HDAC3
SCHEMBL1127330 0.84 BRAF (0.51) NR1I2BRAFEGFR
SCHEMBL1126751 0.84 BRAF (0.59) NR1I2BRAF

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073341-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2017-03-16 US disclosed
US-20170073341-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2017-03-16 US disclosed
US-20170073341-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2017-03-16 US disclosed
EP-3106462-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS Novartis AG (CH) 2016-12-21 EP disclosed
EP-3106462-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS Novartis AG (CH) 2016-12-21 EP disclosed
US-20160068523-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2016-03-10 US disclosed
US-20160068523-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2016-03-10 US disclosed
US-20160068523-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2016-03-10 US disclosed
US-9233956-B2 Benzene sulfonamide thiazole and oxazole compounds NOVARTIS AG (CH) 2016-01-12 US disclosed
US-9233956-B2 Benzene sulfonamide thiazole and oxazole compounds NOVARTIS AG (CH) 2016-01-12 US disclosed
US-7994185-B2 Benzene sulfonamide thiazole and oxazole compounds Glaxo Smith Kline LLC (US) 2011-08-09 US disclosed
US-7994185-B2 Benzene sulfonamide thiazole and oxazole compounds Glaxo Smith Kline LLC (US) 2011-08-09 US disclosed
US-7994185-B2 Benzene sulfonamide thiazole and oxazole compounds Glaxo Smith Kline LLC (US) 2011-08-09 US disclosed
US-20110172215-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds NOVARTIS AG (CH) 2011-07-14 US disclosed
US-20110172215-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds NOVARTIS AG (CH) 2011-07-14 US disclosed
US-20110172215-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds NOVARTIS AG (CH) 2011-07-14 US disclosed
US-20090298815-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2009-12-03 US disclosed
US-20090298815-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2009-12-03 US disclosed
US-20090298815-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2009-12-03 US disclosed
WO-2009137391-A2 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-11-12 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 (4 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-20110172215-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds STS, TST, TPST2 NR1I2 886/4885BRAF 776/4885HDAC1 890/4885
US-20170073341-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 NR1I2 886/4885BRAF 776/4885HDAC1 890/4885
US-20160068523-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 NR1I2 886/4885BRAF 776/4885HDAC1 890/4885
US-20090298815-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 NR1I2 886/4885BRAF 776/4885HDAC1 890/4885

“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.