SCHEMBL3380968

SCHEMBL3380968

CCC1(C)CC(S(=O)(=O)Cc2c(F)cccc2F)=NO1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
AKR1B1 P15121 1/20 0.33
GRM4 Q14833 4/20 0.32
ALDH1A1 P00352 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
HSD11B1 P28845 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
SCHEMBL3154109 0.85 KDM4E (0.35) KDM4EAKR1B1GRM4ALDH1A1CA1
SCHEMBL3162480 0.84 KDM4E (0.34) KDM4EAKR1B1GRM4ALDH1A1CA1
SCHEMBL5290426 0.82 ALDH1A1 (0.40) ALDH1A1CA1CA2
SCHEMBL5298836 0.80 ALDH1A1 (0.39) KDM4EAKR1B1ALDH1A1CA1CA2
SCHEMBL28729345 0.80
SCHEMBL5289822 0.78 KDM4E (0.47) KDM4EAKR1B1GRM4ALDH1A1
SCHEMBL14364508 0.74 ALDH1A1 (0.39) ALDH1A1
SCHEMBL13588831 0.73 CA1 (0.31) CA1CA2HSD11B1
SCHEMBL20870965 0.72 NPSR1 (0.41) ALDH1A1
SCHEMBL20870961 0.72 PIK3CD (0.35) ALDH1A1

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
EP-2186410-B1 Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO (JP) 2014-05-07 EP disclosed
EP-1364946-B1 ISOXAZOLINE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2010-11-24 EP disclosed
US-7833939-B2 Herbicide compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-11-16 US disclosed
EP-2186410-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-05-19 EP disclosed
US-7238689-B2 Isoxazoline derivative and herbicide comprising the same as active ingredient IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-07-03 US 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-20050256004-A1 Herbicide compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-11-17 US 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
US-20040110749-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-06-10 US disclosed
EP-1364946-A1 ISOXAZOLINE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-11-26 EP 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 (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-20050256004-A1 Herbicide compositions DDT, CYP4X1, GLRX3 KDM4E 1984/4885AKR1B1 802/4885GRM4 124/4885
US-20040110749-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient CYP4X1, PRDX5, CYP3A7 KDM4E 1263/4885AKR1B1 1581/4885GRM4 732/4885

“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.