SCHEMBL3157653

SCHEMBL3157653

Cn1nc(C(F)(F)F)[c]c1OCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
G6PD P11413 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
JMJD6 Q6NYC1 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
SCHEMBL3163306 0.86
SCHEMBL4398789 0.86
SCHEMBL3149829 0.82 SCN9A (0.33) SCN9AKDM4EMEN1USP2ALDH1A1
SCHEMBL3167406 0.81
SCHEMBL4223180 0.81
SCHEMBL4600999 0.80 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL3164109 0.79
SCHEMBL4384616 0.78
SCHEMBL4218271 0.75
SCHEMBL4386006 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275261-A1 1,3,4-THIADIAZOLES HAVING A HERBICIDAL ACTIVITY, THEIR AGRONOMICAL COMPOSITIONS AND RELATIVE USE ISAGRO S.P.A. (IT) 2017-09-28 US claimed
EP-3194393-A1 1,3,4-THIADIAZOLES HAVING A HERBICIDAL ACTIVITY, THEIR AGRONOMICAL COMPOSITIONS AND RELATIVE USE ISAGRO S.p.A. (IT) 2017-07-26 EP claimed
WO-2016042435-A1 1,3,4-THIADIAZOLES HAVING A HERBICIDAL ACTIVITY, THEIR AGRONOMICAL COMPOSITIONS AND RELATIVE USE ISAGRO S.P.A. (IT) 2016-03-24 WO claimed
US-20170275261-A1 1,3,4-THIADIAZOLES HAVING A HERBICIDAL ACTIVITY, THEIR AGRONOMICAL COMPOSITIONS AND RELATIVE USE ISAGRO S.P.A. (IT) 2017-09-28 US disclosed
EP-3194393-A1 1,3,4-THIADIAZOLES HAVING A HERBICIDAL ACTIVITY, THEIR AGRONOMICAL COMPOSITIONS AND RELATIVE USE ISAGRO S.p.A. (IT) 2017-07-26 EP disclosed
WO-2016042435-A1 1,3,4-THIADIAZOLES HAVING A HERBICIDAL ACTIVITY, THEIR AGRONOMICAL COMPOSITIONS AND RELATIVE USE ISAGRO S.P.A. (IT) 2016-03-24 WO disclosed
US-8680290-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
EP-1789401-B1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LTD (GB) 2010-03-03 EP disclosed
EP-1799657-B1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LTD (GB) 2009-12-02 EP disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
US-7465805-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2008-12-16 US disclosed
EP-1965644-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2008-09-10 EP disclosed
US-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA LIMITED (GB) 2008-06-12 US disclosed
US-20080051287-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2008-02-28 US disclosed
WO-2007071900-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2007-06-28 WO disclosed
EP-1799657-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2007-06-27 EP disclosed
EP-1789401-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2007-05-30 EP disclosed
WO-2006037945-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2006-04-13 WO disclosed
WO-2006024820-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2006-03-09 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 (4 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-20170275261-A1 1,3,4-THIADIAZOLES HAVING A HERBICIDAL ACTIVITY, THEIR AGRONOMICAL COMPOSITIONS AND RELATIVE USE DDT, CYP1B1, CYP4X1 SCN9A 3468/4885KDM4E 1892/4885MEN1 4419/4885
US-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides MTX1, MTX2, CHRM1 SCN9A 540/4885KDM4E 1939/4885MEN1 755/4885
US-20080051287-A1 Isoxazoline Derivatives and Their Use as Herbicides CYP4X1, CYP3A7, CYP4Z1 SCN9A 2419/4885KDM4E 1107/4885MEN1 4795/4885
US-20090042726-A1 Novel Herbicides DDT, CBR3, CBR1 SCN9A 1527/4885KDM4E 1271/4885MEN1 3398/4885

“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.