SCHEMBL855768

SCHEMBL855768

Cc1ccc(S(=O)(=O)Nc2ccc(F)c(C=O)c2F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C19 P33261 3/20 0.56
CYP3A4 P08684 1/20 0.56
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
LMNA P02545 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
CA1 P00915 2/20 0.49
CA4 P22748 2/20 0.49
CA7 P43166 2/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.49
NOD2 Q9HC29 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL414987 0.88 CYP2C9 (0.74) CYP2C9CYP2D6CYP2C19CYP3A4KEAP1
SCHEMBL1817112 0.87 CYP2C9 (0.61) CYP2C9CYP2D6CYP2C19CYP3A4LMNA
SCHEMBL1086257 0.85 CYP2C9 (0.70) CYP2C9CYP2D6CYP2C19CYP3A4KEAP1
SCHEMBL1815445 0.85 CYP2C9 (0.66) CYP2C9CYP2D6CYP2C19CYP3A4LMNA
SCHEMBL1817625 0.85 CYP2C9 (0.66) CYP2C9CYP2D6CYP2C19CYP3A4KEAP1
SCHEMBL14567682 0.84 KEAP1 (0.58) CYP2C9CYP2D6CYP2C19KEAP1NFE2L2
SCHEMBL855994 0.83 CYP2C9 (0.57) CYP2C9CYP2D6CYP2C19CYP3A4LMNA
SCHEMBL76822 0.83 CYP2C9 (1.00) CYP2C9CYP2D6CYP2C19CYP3A4LMNA
SCHEMBL16128910 0.83 CYP2C9 (0.67) CYP2C9CYP2D6CYP2C19CYP3A4KEAP1
SCHEMBL1814768 0.82 CYP2C9 (0.63) CYP2C9CYP2D6CYP2C19CYP3A4LMNA

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-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-20130303534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-11-14 US disclosed
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 US disclosed
US-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-03-01 US disclosed
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-01-26 US disclosed
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-03-10 US disclosed
US-7863288-B2 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON, INC. (US) 2011-01-04 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 (8 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-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2C9 4746/4885CYP2D6 4480/4885CYP2C19 4579/4885
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2C9 4746/4885CYP2D6 4480/4885CYP2C19 4579/4885
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2C9 4746/4885CYP2D6 4480/4885CYP2C19 4579/4885
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2C9 4746/4885CYP2D6 4480/4885CYP2C19 4579/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2C9 4746/4885CYP2D6 4480/4885CYP2C19 4579/4885
US-20130303534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2C9 4746/4885CYP2D6 4480/4885CYP2C19 4579/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2C9 4746/4885CYP2D6 4480/4885CYP2C19 4579/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2C9 4746/4885CYP2D6 4480/4885CYP2C19 4579/4885

“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.