SCHEMBL3155303

SCHEMBL3155303

CC1(C)CC(SCc2ccccc2OC(F)(F)F)=NO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
PTPN1 P18031 1/20 0.35
SLC6A3 Q01959 5/20 0.35
DRD2 P14416 4/20 0.35
NTRK1 P04629 2/20 0.34
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 3/20 0.33
CYP2D6 P10635 2/20 0.33
KCNH2 Q12809 2/20 0.33
MPO P05164 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
KCNN3 Q9UGI6 1/20 0.32

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
SCHEMBL4398070 0.81 CDC7 (0.39) PTPN1
SCHEMBL4393093 0.79 NTRK1 (0.34) NTRK1SLC6A2
SCHEMBL4389539 0.78 SMN1; SMN2 (0.41) CYP2C19CYP3A4CYP2D6
SCHEMBL3149637 0.77 OPRM1 (0.38) OPRM1OPRD1CYP2C19CYP3A4SLC6A3
SCHEMBL3382156 0.73 HSD17B10 (0.40)
SCHEMBL3381582 0.71 PIEZO1 (0.35)
SCHEMBL3104128 0.70 ALDH1A1 (0.40) CYP2C19CYP3A4
SCHEMBL5413666 0.69 SLC6A3 (0.43) CYP2C19SLC6A3DRD2SLC6A2SLC6A4
SCHEMBL20855351 0.67 RAB9A (0.45)
SCHEMBL3164835 0.67 PDE2A (0.33) HDAC6

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 16 patents. 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
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
EP-1799657-B1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LTD (GB) 2009-12-02 EP disclosed
US-7465805-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2008-12-16 US disclosed
US-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA LIMITED (GB) 2008-06-12 US disclosed
US-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA LIMITED (GB) 2008-06-12 US disclosed
US-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA LIMITED (GB) 2008-06-12 US disclosed
EP-1902038-A2 METHOD FOR PRODUCING 3-ARYLMETHYLTHIO- AND 3-HETEROARYLMETHYLTHIO-4,5-DIHYDRO-ISOXAZOLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-03-26 EP disclosed
US-20080051287-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2008-02-28 US disclosed
EP-1799657-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2007-06-27 EP disclosed
US-20070015805-A1 Process for preparing 3-arylmethylthio- and 3-heteroarylmethylthio-4,5-dihydroisoxazoline derivatives BAYER CROPSCIENCE GMBH (DE) 2007-01-18 US disclosed
WO-2007003295-A2 METHOD FOR PRODUCING 3-ARYLMETHYLTHIO- AND 3-HETEROARYLMETHYLTHIO-4,5-DIHYDRO-ISOXAZOLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-01-11 WO disclosed
WO-2006037945-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2006-04-13 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 (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-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides MTX1, MTX2, CHRM1 OPRM1 416/4885OPRD1 943/4885CYP2C19 264/4885
US-20080051287-A1 Isoxazoline Derivatives and Their Use as Herbicides CYP4X1, CYP3A7, CYP4Z1 OPRM1 2731/4885OPRD1 2644/4885CYP2C19 94/4885
US-20070015805-A1 Process for preparing 3-arylmethylthio- and 3-heteroarylmethylthio-4,5-dihydroisoxazoline derivatives CYP3A7, KMO, CYP4X1 OPRM1 2034/4885OPRD1 2469/4885CYP2C19 47/4885

“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.