SCHEMBL3029048

SCHEMBL3029048

NC(=O)c1c(F)ccc(NS(=O)(=O)c2ccc(OC(F)F)cc2)c1F

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.45
CYP2C19 P33261 6/20 0.42
CYP2C9 P11712 7/20 0.42
CYP2D6 P10635 1/20 0.39
CYP3A4 P08684 5/20 0.39
BRAF P15056 1/20 0.39
FABP4 P15090 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
SCHEMBL3022553 0.87 CYP3A4 (0.42) KITCYP2C9CYP3A4BRAFFABP4
SCHEMBL3029050 0.83 KIT (0.50) KITCYP2C9CYP2D6
SCHEMBL1492020 0.81 FABP4 (0.48) BRAFFABP4
SCHEMBL3017378 0.81 CYP2C19 (0.60) CYP2C19CYP2C9CYP3A4FABP4
SCHEMBL3024185 0.79 CYP2C9 (0.63) CYP2C19CYP2C9CYP2D6CYP3A4
SCHEMBL3026664 0.78 HSD17B2 (0.50) CYP2C19CYP2C9CYP2D6CYP3A4
SCHEMBL288275 0.76 CYP2C19 (0.55) CYP2C19CYP2C9CYP3A4
SCHEMBL3027191 0.76 CYP3A4 (0.61) CYP2C19CYP2C9CYP3A4
SCHEMBL1462151 0.76 FABP4 (0.47) CYP2C19BRAFFABP4
SCHEMBL3025880 0.75 FABP4 (0.52) CYP2C9CYP3A4FABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190209536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-07-11 US claimed
US-20170319559-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-11-09 US claimed
US-20170056382-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-03-02 US claimed
EP-2170830-B1 2-FLUORO-BENZENESULFONAMIDE COMPOUNDS AS Raf KINASE MODULATORS PLEXXIKON INC (US) 2014-10-15 EP claimed
US-20210353602-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-11-18 US disclosed
US-20210346358-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-11-11 US disclosed
US-10426760-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-10-01 US disclosed
US-20190209536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-07-11 US disclosed
US-20190175567-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-06-13 US disclosed
US-9844539-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-12-19 US disclosed
US-20170319559-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-11-09 US disclosed
US-20170056382-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-03-02 US disclosed
US-20140303187-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-10-09 US disclosed
US-20140038948-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-06 US disclosed
US-20130237531-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-09-12 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
US-20100190777-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2010-07-29 US disclosed
EP-2170830-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2010-04-07 EP disclosed
WO-2009012283-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2009-01-22 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 (12 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-20210346358-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KIT 1117/4885CYP2C19 4579/4885CYP2C9 4746/4885
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF KIT 1330/4885CYP2C19 2730/4885CYP2C9 2176/4885
US-20130237531-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KIT 1117/4885CYP2C19 4579/4885CYP2C9 4746/4885
US-20210353602-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KIT 1117/4885CYP2C19 4579/4885CYP2C9 4746/4885
US-20140303187-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KIT 1117/4885CYP2C19 4579/4885CYP2C9 4746/4885
US-20100190777-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K11, MAP3K10 KIT 738/4885CYP2C19 3521/4885CYP2C9 3648/4885
US-10426760-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, MAP3K13, MAP3K8 KIT 1117/4885CYP2C19 4579/4885CYP2C9 4746/4885
US-20190209536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KIT 1117/4885CYP2C19 4579/4885CYP2C9 4746/4885
US-20190175567-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KIT 1117/4885CYP2C19 4579/4885CYP2C9 4746/4885
US-20170319559-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KIT 1117/4885CYP2C19 4579/4885CYP2C9 4746/4885
US-20140038948-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KIT 1117/4885CYP2C19 4579/4885CYP2C9 4746/4885
US-20170056382-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KIT 1117/4885CYP2C19 4579/4885CYP2C9 4746/4885

“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.