SCHEMBL175619

SCHEMBL175619

C=C(c1ccc(F)c(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
TAS1R2 Q8TE23 2/20 0.42
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
PTPN7 P35236 2/20 0.40
DUSP3 P51452 2/20 0.40
HDAC8 Q9BY41 1/20 0.39
VNN1 O95497 7/20 0.38
AR P10275 3/20 0.37
KIF11 P52732 1/20 0.37
MPL P40238 1/20 0.35

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
SCHEMBL10290669 0.81 KCNQ3 (0.47) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL10953414 0.81 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL981100 0.79 NPFFR2 (0.50)
SCHEMBL14962353 0.77 MAOA (0.40) PTPN7DUSP3
SCHEMBL2577750 0.77 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL869560 0.77 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL872479 0.77 CES2 (0.34) KIF11
SCHEMBL3633190 0.77 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL2097823 0.77 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL10659911 0.76 VNN1 (0.56) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013076590-A1 BENZOTHIAZINE COMPOUNDS AS H3 RECEPTOR LIGANDS OXYGEN HEALTHCARE RESEARCH PVT. LTD (IN) 2013-05-30 WO claimed
EP-2619189-B1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC (US) 2020-04-15 EP disclosed
EP-2782448-B1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2017-08-16 EP disclosed
EP-2782448-B1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2017-08-16 EP disclosed
EP-3095780-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2016-11-23 EP disclosed
US-9271499-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 US disclosed
US-9266830-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-23 US disclosed
US-20160000813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-01-07 US disclosed
US-20160000813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-01-07 US disclosed
US-9156860-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CORPSCIENCE AG (DE) 2010-07-15 US disclosed
EP-2181100-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES Bayer CropScience AG (DE) 2010-05-05 EP disclosed
WO-2010043315-A1 PESTICIDAL (HETERO) ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-04-22 WO disclosed
CN-101663261-A Insecticidal arylpyrrolidines BAYER CROPSCIENCE AG 2010-03-03 CN disclosed
CN-101652354-A insecticidal aryl isoxazoline derivatives BAYER CROPSCIENCE AG DE 2010-02-17 CN disclosed
EP-2148853-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-02-03 EP disclosed
WO-2009112275-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-09-17 WO disclosed
WO-2009097992-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2009-08-13 WO disclosed
WO-2008128711-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2008-10-30 WO disclosed
WO-2008122375-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-10-16 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 (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-20160000813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, SLC7A5, BCL6 TAS1R3 2573/4885TAS1R1 2377/4885TAS1R2 2247/4885
US-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES CYP4X1, AADAC, CYP3A7 TAS1R3 2105/4885TAS1R1 2621/4885TAS1R2 2104/4885

“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.