Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2194657

CC(C)c1nc(-c2ccc(F)c(NS(=O)(=O)c3ccco3)c2)c(-c2ccnc(NCCS(C)(=O)=O)n2)s1.O=C(O)C(F)(F)F

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.72
LCK P06239 1/20 0.48
LYN P07948 1/20 0.48
TGFBR1 P36897 1/20 0.48
BTK Q06187 1/20 0.48
ACVR2B Q13705 1/20 0.48
ERBB4 Q15303 1/20 0.48
NCOA1 Q15788 1/20 0.48
KCNH2 Q12809 1/20 0.43
EIF2AK3 Q9NZJ5 1/20 0.38

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
SCHEMBL12349996 0.95 BRAF (0.80) BRAFLCKLYNTGFBR1BTK
SCHEMBL12350424 0.91 BRAF (0.73) BRAFLCKLYNTGFBR1BTK
SCHEMBL2192723 0.84 BRAF (1.00) BRAFLCKLYNTGFBR1BTK
SCHEMBL2193266 0.83 BRAF (0.77) BRAFEIF2AK3
SCHEMBL2194663 0.82 BRAF (0.56) BRAFLCKLYNTGFBR1BTK
SCHEMBL12350547 0.82 BRAF (0.80) BRAFLCKLYNTGFBR1BTK
SCHEMBL2193474 0.81 BRAF (0.79) BRAFLCKLYNTGFBR1BTK
SCHEMBL2193377 0.81 BRAF (0.77) BRAFLCKLYNTGFBR1BTK
SCHEMBL2190077 0.80 BRAF (0.63) BRAFLCKLYNTGFBR1BTK
SCHEMBL12350434 0.79 BRAF (0.57) BRAFLCKLYNTGFBR1BTK

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 11 patents. 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
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-9233956-B2 Benzene sulfonamide thiazole and oxazole compounds NOVARTIS AG (CH) 2016-01-12 US disclosed
US-20140080851-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds GLAXOSMITHKLINE LLC (US) 2014-03-20 US disclosed
US-8642759-B2 Benzene sulfonamide thiazole and oxazole compounds GLAXOSMITHKLINE LLC (US) 2014-02-04 US disclosed
US-20130144055-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds GLAXOSMITHKLINE LLC (US) 2013-06-06 US disclosed
US-8415345-B2 Benzene sulfonamide thiazole and oxazole compounds Glaxo SmithKline LLC (US) 2013-04-09 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-20090298815-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2009-12-03 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 (6 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 BRAF 776/4885LCK 598/4885LYN 988/4885
US-20170073341-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 BRAF 776/4885LCK 598/4885LYN 988/4885
US-20160068523-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 BRAF 776/4885LCK 598/4885LYN 988/4885
US-20140080851-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 BRAF 776/4885LCK 598/4885LYN 988/4885
US-20130144055-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds STS, TST, TPST2 BRAF 776/4885LCK 598/4885LYN 988/4885
US-20090298815-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 BRAF 776/4885LCK 598/4885LYN 988/4885

“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.