SCHEMBL1817112

SCHEMBL1817112

Cc1cc(C)cc(S(=O)(=O)Nc2ccc(F)c(C=O)c2F)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.61
CYP2D6 P10635 1/20 0.61
CYP3A4 P08684 3/20 0.55
CYP2C19 P33261 2/20 0.55
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
ACLY P53396 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
APP P05067 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 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
SCHEMBL855994 0.88 CYP2C9 (0.57) CYP2C9CYP2D6CYP3A4CYP2C19LMNA
SCHEMBL855768 0.87 CYP2C9 (0.71) CYP2C9CYP2D6CYP3A4CYP2C19LMNA
SCHEMBL25450168 0.81 CYP3A4 (0.44) CYP2C9CYP2D6CYP3A4LMNATSHR
SCHEMBL1086257 0.81 CYP2C9 (0.70) CYP2C9CYP2D6CYP3A4CYP2C19
SCHEMBL414987 0.81 CYP2C9 (0.74) CYP2C9CYP2D6CYP3A4CYP2C19TSHR
SCHEMBL414611 0.79 CYP2C9 (0.60) CYP2C9CYP2D6CYP3A4CYP2C19
SCHEMBL1815445 0.78 CYP2C9 (0.66) CYP2C9CYP2D6CYP3A4CYP2C19LMNA
SCHEMBL1817625 0.78 CYP2C9 (0.66) CYP2C9CYP2D6CYP3A4CYP2C19LMNA
SCHEMBL412856 0.77 CYP2C9 (0.65) CYP2C9CYP2D6CYP3A4CYP2C19LMNA
SCHEMBL76822 0.76 CYP2C9 (1.00) CYP2C9CYP2D6CYP3A4CYP2C19LMNA

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
US-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
US-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP disclosed
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP disclosed
CN-105906631-A Compounds and methods for kinase modulation, and indications therefor 普莱希科公司 2016-08-31 CN disclosed
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-09-25 US disclosed
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-09-25 US disclosed
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-09-25 US disclosed
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US disclosed
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US disclosed
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US disclosed
EP-2501236-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-26 EP disclosed
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON INC. 2011-06-23 US disclosed
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON INC. 2011-06-23 US disclosed
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON INC. 2011-06-23 US disclosed
WO-2011063159-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-26 WO disclosed
WO-2011063159-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-26 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 (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-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, KRAS, RAF1 CYP2C9 2207/4885CYP2D6 1658/4885CYP3A4 2604/4885
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, KRAS, RAF1 CYP2C9 2207/4885CYP2D6 1658/4885CYP3A4 2604/4885

“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.