SCHEMBL5542707

SCHEMBL5542707

CCS(=O)(=O)Oc1c(-c2cc(-c3ccc(F)cc3)ccc2C)c(=O)n2n1CCCC2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 7/20 0.35
MAPK12 P53778 7/20 0.35
MAPK11 Q15759 7/20 0.35
MAPK14 Q16539 7/20 0.35
HRH3 Q9Y5N1 3/20 0.33
ATR Q13535 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
TSHR P16473 1/20 0.32
GRIN2B Q13224 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SLC2A1 P11166 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL10228007 0.85 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14HRH3
SCHEMBL5539657 0.82 TSHR (0.37) MAPK13MAPK12MAPK11MAPK14TSHR
SCHEMBL5536318 0.78 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14ATR
SCHEMBL5542073 0.78 MAPK13 (0.36) MAPK13MAPK12MAPK11MAPK14HRH3
SCHEMBL5540559 0.68 PKM (0.35) MAPK14TSHRSMN1; SMN2TP53
SCHEMBL5534740 0.67 MAPK13 (0.35) MAPK13MAPK12MAPK11MAPK14HRH3
SCHEMBL13719699 0.67 TYMS (0.42) HRH3MAPTSMN1; SMN2MAPK1HTT
SCHEMBL5540679 0.67 HDAC4 (0.39) MAPTSMN1; SMN2TP53MAPK1HTT
SCHEMBL5539382 0.66 RAF1 (0.38) HRH3GRIN2B
SCHEMBL5536077 0.66 ACACB (0.42) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987500-B2 4-biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER CROPSCIENCE AG (DE) 2015-03-24 US disclosed
US-8987500-B2 4-biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER CROPSCIENCE AG (DE) 2015-03-24 US disclosed
US-20140039215-A1 4-Biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-20140039215-A1 4-Biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-8586783-B2 4-biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER CROPSCIENCE AG (DE) 2013-11-19 US disclosed
US-20130018202-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AG (DE) 2013-01-17 US disclosed
US-20130018202-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AG (DE) 2013-01-17 US disclosed
US-8168566-B2 4-biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER CROPSCIENCE AG (DE) 2012-05-01 US disclosed
US-8168566-B2 4-biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER CROPSCIENCE AG (DE) 2012-05-01 US disclosed
US-8119566-B2 use as pesticides and/or herbicides and/or microbicides; for the selective control of weeds; synergistic; low application rates and concentrations; in particular in cereals (especially wheat) BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20120040963-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AG (DE) 2012-02-16 US disclosed
US-20120040963-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AG (DE) 2012-02-16 US disclosed
US-20080188371-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-08-07 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 (4 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-20140039215-A1 4-Biphenyl-substituted pyrazolidin-3,5-dione derivatives DDT, CYP4X1, HPD MAPK13 3788/4885MAPK12 3963/4885MAPK11 4392/4885
US-20120040963-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD MAPK13 3788/4885MAPK12 3963/4885MAPK11 4392/4885
US-20080188371-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD MAPK13 3788/4885MAPK12 3963/4885MAPK11 4392/4885
US-20130018202-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD MAPK13 3788/4885MAPK12 3963/4885MAPK11 4392/4885

“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.