SCHEMBL3384079

SCHEMBL3384079

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.34
PTGS1 P23219 5/20 0.33
ADAMTS5 Q9UNA0 5/20 0.33
CYP1A2 P05177 2/20 0.31
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
GRIA2 P42262 2/20 0.30
CYP2D6 P10635 1/20 0.30
PDE11A Q9HCR9 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 0.88 PTGS2 (0.35) PTGS2PTGS1ADAMTS5CYP2C9CYP2C19
SCHEMBL3380985 0.87 PTGS2 (0.33) PTGS2PTGS1ADAMTS5CYP2C9CYP2C19
SCHEMBL14364501 0.76 GAA (0.33)
SCHEMBL13055879 0.75 GAA (0.33) CYP1A2MEN1CYP2C9CYP2C19KMT2A
SCHEMBL29169585 0.75 GAA (0.33) CYP1A2MEN1CYP2C9CYP2C19KMT2A
SCHEMBL14364493 0.75 ALDH1A1 (0.34) CYP1A2MEN1CYP2C9CYP2C19KMT2A
SCHEMBL14311485 0.74
SCHEMBL3736237 0.74 ALDH1A1 (0.39) CYP1A2MEN1CYP2C9CYP2C19KMT2A
SCHEMBL28573200 0.74 GAA (0.33) CYP1A2MEN1CYP2C9CYP2C19KMT2A
SCHEMBL14311719 0.73

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
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-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-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 2993/4885PTGS1 2916/4885ADAMTS5 3134/4885
US-20050256004-A1 Herbicide compositions DDT, CYP4X1, GLRX3 PTGS2 3715/4885PTGS1 3952/4885ADAMTS5 4264/4885
US-20040110749-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient CYP4X1, PRDX5, CYP3A7 PTGS2 2491/4885PTGS1 2498/4885ADAMTS5 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.