SCHEMBL3380985

SCHEMBL3380985

CN(C)c1c(CS(=O)(=O)C2=NOC(C)(C)C2)c(C(F)(F)F)nn1-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.33
GRIA2 P42262 3/20 0.32
ADAMTS5 Q9UNA0 4/20 0.32
CYP2C9 P11712 3/20 0.32
PTGS1 P23219 3/20 0.31
CYP2C19 P33261 2/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL3381498 0.87 PTGS2 (0.35) PTGS2ADAMTS5CYP2C9PTGS1CYP2C19
SCHEMBL3384079 0.87 PTGS2 (0.34) PTGS2GRIA2ADAMTS5CYP2C9PTGS1
SCHEMBL3381612 0.81 ADAMTS5 (0.33) GRIA2ADAMTS5CYP2C9CYP2C19
SCHEMBL29169585 0.73 GAA (0.33) CYP2C9CYP2C19ALDH1A1CYP3A4GAA
SCHEMBL14364493 0.73 ALDH1A1 (0.34) CYP2C9CYP2C19ALDH1A1CYP3A4GAA
SCHEMBL13055879 0.73 GAA (0.33) CYP2C9CYP2C19ALDH1A1GAA
SCHEMBL28573200 0.72 GAA (0.33) CYP2C9CYP2C19CYP3A4GAA
SCHEMBL3736237 0.72 ALDH1A1 (0.39) CYP2C9CYP2C19ALDH1A1CYP3A4GAA
SCHEMBL14364501 0.72 GAA (0.33) GAA
SCHEMBL14364512 0.72 GAA (0.32) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404618-B2 Herbicidal composition SYNGENTA LIMITED (GB) 2013-03-26 US 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-20070259786-A1 Herbicidal Composition SYNGENTA CROP PROTECTION, INC. (US) 2007-11-08 US 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
US-20050256004-A1 Herbicide compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-11-17 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

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 PTGS2 2993/4885GRIA2 1181/4885ADAMTS5 3134/4885
US-20050256004-A1 Herbicide compositions DDT, CYP4X1, GLRX3 PTGS2 3715/4885GRIA2 109/4885ADAMTS5 4264/4885
US-20040110749-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient CYP4X1, PRDX5, CYP3A7 PTGS2 2491/4885GRIA2 412/4885ADAMTS5 4327/4885

“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.