SCHEMBL3154109

SCHEMBL3154109

CC1(C)CC(S(=O)(=O)Cc2c(F)cccc2F)=NO1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
AKR1B1 P15121 1/20 0.34
GRM4 Q14833 6/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 1/20 0.32
IL2 P60568 1/20 0.31
LMNA P02545 2/20 0.31
MITF O75030 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL3162480 0.99 KDM4E (0.34) KDM4EAKR1B1GRM4CA1CA2
SCHEMBL5289822 0.91 KDM4E (0.47) KDM4EAKR1B1GRM4ALDH1A1LMNA
SCHEMBL14364508 0.87 ALDH1A1 (0.39) ALDH1A1LMNAMAPTHPGDMAPK1
SCHEMBL13588831 0.86 CA1 (0.31) CA1CA2HSD11B1IL2
SCHEMBL3380968 0.85 KDM4E (0.33) KDM4EAKR1B1GRM4CA1CA2
SCHEMBL13588898 0.84 CA1 (0.30) CA1CA2
SCHEMBL13986674 0.83
SCHEMBL13588833 0.81
SCHEMBL20855344 0.81 ALDH1A1 (0.42) CA1CA2ALDH1A1LMNAMAPT
SCHEMBL14364509 0.81 OPRM1 (0.32)

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680290-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-8680290-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-8680290-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-8404618-B2 Herbicidal composition SYNGENTA LIMITED (GB) 2013-03-26 US disclosed
US-8404618-B2 Herbicidal composition SYNGENTA LIMITED (GB) 2013-03-26 US disclosed
EP-1789401-B1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LTD (GB) 2010-03-03 EP disclosed
EP-1789401-B1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LTD (GB) 2010-03-03 EP disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
US-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA LIMITED (GB) 2008-06-12 US disclosed
EP-1755397-B1 HERBICIDAL COMPOSITION SYNGENTA PARTICIPATIONS AG (CH) 2008-01-09 EP disclosed
US-20070259786-A1 Herbicidal Composition SYNGENTA CROP PROTECTION, INC. (US) 2007-11-08 US disclosed
US-20070259786-A1 Herbicidal Composition SYNGENTA CROP PROTECTION, INC. (US) 2007-11-08 US disclosed
WO-2007071900-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2007-06-28 WO disclosed
EP-1789401-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2007-05-30 EP disclosed
WO-2006024820-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2006-03-09 WO disclosed
EP-1203768-B1 ISOXAZOLINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2006-03-01 EP disclosed
US-6841519-B1 Isoxazoline derivatives and herbicides containing the same as the active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-01-11 US disclosed
EP-1203768-A1 ISOXAZOLINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-05-08 EP 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 (3 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-20070259786-A1 Herbicidal Composition DDT, IDH2, ACHE KDM4E 1547/4885AKR1B1 957/4885GRM4 866/4885
US-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides MTX1, MTX2, CHRM1 KDM4E 1939/4885AKR1B1 622/4885GRM4 2743/4885
US-20090042726-A1 Novel Herbicides DDT, CBR3, CBR1 KDM4E 1271/4885AKR1B1 101/4885GRM4 1036/4885

“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.