SCHEMBL869560

SCHEMBL869560

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
TAS1R2 Q8TE23 3/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SMN1; SMN2 Q16637 3/20 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
SCHEMBL2492152 0.84 TSHR (0.47) MEN1MAPTKMT2AHTTNPC1
Hydrogen Sulfide SCHEMBL28190447 0.82 TSHR (0.45) MEN1MAPTKMT2AHTTNPC1
SCHEMBL31394687 0.79 TSHR (0.42) ALDH1A1SMN1; SMN2
SCHEMBL20934776 0.79 SLC6A2 (0.43) MEN1MAPTKMT2AALDH1A1NPC1
SCHEMBL570661 0.78
SCHEMBL8252464 0.78 KCNQ3 (0.44) TAS1R3TAS1R1TAS1R2MAOAMAOB
SCHEMBL20973221 0.77 CES2 (0.42) MAOAMAOBALDH1A1NPSR1
SCHEMBL14962353 0.77 MAOA (0.40) MAOAMAOBKMT2A
SCHEMBL175619 0.77 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL14962356 0.77 CYP2D6 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-9156860-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-9156860-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-20150025038-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2015-01-22 US disclosed
US-8853186-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
EP-2782448-A1 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2014-10-01 EP disclosed
EP-2619189-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS Zoetis LLC (US) 2013-07-31 EP disclosed
WO-2013078070-A1 BORON-CONTAINING SMALL MOLECULES ELI LILLY AND COMPANY (US) 2013-05-30 WO disclosed
US-20130131016-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
US-20130131016-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
US-20130131016-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
US-8404649-B2 Isoxazoline oximes as antiparasitic agents AH USA 42 LLC (US) 2013-03-26 US disclosed
WO-2012038851-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 WO disclosed
US-20120077765-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 US 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-20160000813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, SLC7A5, BCL6 TAS1R3 2573/4885TAS1R1 2377/4885TAS1R2 2247/4885
US-20120077765-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS CYP1A2, CYP3A7, CYP2E1 TAS1R3 2106/4885TAS1R1 1702/4885TAS1R2 2009/4885
US-20130131016-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, SLC7A5, BCL6 TAS1R3 2573/4885TAS1R1 2377/4885TAS1R2 2247/4885
US-20150025038-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, SLC7A5, BCL6 TAS1R3 2573/4885TAS1R1 2377/4885TAS1R2 2247/4885

“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.