SCHEMBL288105

SCHEMBL288105

CCCc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(=O)c3ccc(NC(C)=O)nc3)c2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.46
CYP2C19 P33261 4/20 0.45
CYP2C9 P11712 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ABL1 P00519 1/20 0.41
BDKRB1 P46663 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CG P48736 1/20 0.40
BRAF P15056 3/20 0.40
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 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
SCHEMBL287756 0.88 PIK3CD (0.52) MEN1KMT2ABDKRB1PIK3CDPIK3CG
SCHEMBL287752 0.86 PIK3C3 (0.47) CYP2C19CYP2C9ABL1BDKRB1PIK3CD
SCHEMBL287817 0.86 CYP2C9 (0.47) CYP3A4CYP2C19CYP2C9BDKRB1PIK3CD
SCHEMBL287544 0.86 MEN1 (0.45) MEN1KMT2ABDKRB1PIK3CDPIK3CG
SCHEMBL288062 0.84 HDAC3 (0.41) ABL1BDKRB1PIK3CDPIK3CGBRAF
SCHEMBL299416 0.84 ABL1 (0.57) CYP3A4CYP2C19ABL1BRAF
SCHEMBL288124 0.83 PIK3CD (0.46) CYP3A4CYP2C9MEN1KMT2APIK3CD
SCHEMBL288035 0.83 BRAF (0.46) CYP3A4CYP2C9BDKRB1PIK3CDPIK3CG
SCHEMBL287795 0.82 HTT (0.45) CYP3A4CYP2C19MEN1KMT2ABRAF
SCHEMBL288488 0.82 HDAC1 (0.41) CYP3A4CYP2C19MEN1KMT2AABL1

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 48 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-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-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-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-20190209536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-07-11 US disclosed
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP 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
US-20100190777-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2010-07-29 US 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
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 (7 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 CYP3A4 4658/4885CYP2C19 4579/4885CYP2C9 4746/4885
US-20210353602-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885CYP2C19 4579/4885CYP2C9 4746/4885
US-20100190777-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K11, MAP3K10 CYP3A4 3607/4885CYP2C19 3521/4885CYP2C9 3648/4885
US-10426760-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885CYP2C19 4579/4885CYP2C9 4746/4885
US-20190209536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885CYP2C19 4579/4885CYP2C9 4746/4885
US-20170319559-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885CYP2C19 4579/4885CYP2C9 4746/4885
US-20170056382-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885CYP2C19 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.