SCHEMBL644166

SCHEMBL644166

COCCOc1c(S(C)(=O)=O)ccc(C(=O)OC)c1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.36
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 3/20 0.36
TSHR P16473 2/20 0.36
CDK1 P06493 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PTGER4 P35408 4/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3867685 0.89 ALDH1A1 (0.35) VCAM1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL646150 0.88 PTGER4 (0.35) ALDH1A1MAPTTSHRPTGER4
SCHEMBL1036538 0.86 ALDH1A1 (0.33) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL29002970 0.85 PTGER4 (0.38) VCAM1CA2CA1CA5ACA9
SCHEMBL643926 0.80 SSTR4 (0.31)
SCHEMBL16035002 0.79 HDAC3 (0.38) CA2CA1CA9KDM4EALDH1A1
SCHEMBL2014859 0.78 GCK (0.34) PTGER4
SCHEMBL4700846 0.78 CA1 (0.45) VCAM1CA2CA1CA5ACA9
SCHEMBL1038478 0.77 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MAPTTSHRHPGD
SCHEMBL644941 0.77 MAPT (0.45) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963274-B1 BENZOYLPYRAZOLE COMPOUNDS AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA (JP) 2015-04-29 EP disclosed
CN-103224460-A Herbicide containing benzoylpyrazole compound ISHIHARA SANGYO KAISHA 2013-07-31 CN disclosed
US-8466088-B2 Herbicidal compositions containing benzoylpyrazole compounds ISHIHARA SANGYO KAISHA, LTD. (JP) 2013-06-18 US disclosed
EP-2084136-B1 BENZOYLPYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA (JP) 2013-03-13 EP disclosed
EP-2546240-A1 Benzoylpyrazole compounds and herbicides containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2013-01-16 EP disclosed
US-8119569-B2 Benzoylpyrazole compounds, process for their production and herbicides containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-02-21 US disclosed
US-20110282070-A1 BENZOYLPYRAZOLE COMPOUNDS AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-11-17 US disclosed
US-8030498-B2 Benzoylpyrazole compounds and herbicides containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-10-04 US disclosed
US-20100317528-A1 HERBICIDE CONTAINING BENZOYLPYRAZOLE COMPOUND ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-12-16 US disclosed
US-20100099563-A1 HERBICIDAL COMPOSITIONS CONTAINING BENZOYLPYRAZOLE COMPOUNDS ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-04-22 US disclosed
US-20100075855-A1 BENZOYLPYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-03-25 US disclosed
US-20090286683-A1 BENZOYLPYRAZOLE COMPOUNDS AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-11-19 US disclosed
CN-101573035-A Herbicide containing benzoylpyrazole compound ISHIHARA SANGYO KAISHA (JP) 2009-11-04 CN disclosed
EP-2106697-A1 HERBICIDAL COMPOSITIONS CONTAINING BENZOYLPYRAZOLE COMPOUNDS ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-10-07 EP disclosed
EP-2103215-A1 HERBICIDE CONTAINING BENZOYLPYRAZOLE COMPOUND ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-09-23 EP disclosed
CN-101541755-A Benzoylpyrazole compounds, process for their production and herbicides containing them ISHIHARA SANGYO KAISHA (JP) 2009-09-23 CN disclosed
EP-2084136-A1 BENZOYLPYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-08-05 EP disclosed
EP-1963274-A1 BENZOYLPYRAZOLE COMPOUNDS AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2008-09-03 EP disclosed
WO-2008065907-A1 BENZOYLPYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2008-06-05 WO disclosed
WO-2007069771-A1 BENZOYLPYRAZOLE COMPOUNDS AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2007-06-21 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 (5 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-20100317528-A1 HERBICIDE CONTAINING BENZOYLPYRAZOLE COMPOUND HDHD5, HCAR3, CBR3 VCAM1 4860/4885CA2 280/4885CA1 2896/4885
US-20100075855-A1 BENZOYLPYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM HACL2, HDHD5, CBR3 VCAM1 4865/4885CA2 305/4885CA1 3011/4885
US-20110282070-A1 BENZOYLPYRAZOLE COMPOUNDS AND HERBICIDES CONTAINING THEM OXSR1, OR10J3, OSBPL3 VCAM1 4750/4885CA2 620/4885CA1 1664/4885
US-20090286683-A1 BENZOYLPYRAZOLE COMPOUNDS AND HERBICIDES CONTAINING THEM DDT, ABAT, AADAC VCAM1 4842/4885CA2 268/4885CA1 2350/4885
US-20100099563-A1 HERBICIDAL COMPOSITIONS CONTAINING BENZOYLPYRAZOLE COMPOUNDS HCN3, CBR3, DDT VCAM1 4880/4885CA2 383/4885CA1 2491/4885

“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.