SCHEMBL871414

SCHEMBL871414

C=C(c1cc(F)cc(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.42
VNN1 O95497 5/20 0.37
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
DDR1 Q08345 1/20 0.33
CES1 P23141 1/20 0.32
GPBAR1 Q8TDU6 2/20 0.32
NOTUM Q6P988 1/20 0.32
GAA P10253 1/20 0.32
MLYCD O95822 1/20 0.31

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
SCHEMBL112329 0.87 CES2 (0.54) CES2RXRARXRBRXRGHDAC3
SCHEMBL540172 0.85 CES1 (0.44) CES2CES1
SCHEMBL19623264 0.80 CES2 (0.42) CES2VNN1RXRARXRBRXRG
SCHEMBL12588747 0.78 CES2 (0.41) CES2GPBAR1NOTUM
SCHEMBL570091 0.78 CES2 (0.41) CES2HDAC3HDAC1HDAC2HDAC6
SCHEMBL1827001 0.78 CES2 (0.54) CES2VNN1RXRARXRBRXRG
SCHEMBL21294732 0.77 CES2 (0.39) CES2VNN1RXRARXRBRXRG
SCHEMBL21609818 0.77 CES2 (0.48) CES2RXRARXRBRXRGNOTUM
SCHEMBL869926 0.76 TAS1R3 (0.35) CES2CES1
Water SCHEMBL1836290 0.76 CES2 (0.52) CES2VNN1RXRARXRBRXRG

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 5 patents. 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-2619189-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS Zoetis LLC (US) 2013-07-31 EP 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 (1 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-20120077765-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS CYP1A2, CYP3A7, CYP2E1 CES2 712/4885VNN1 1286/4885RXRA 265/4885

“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.