SCHEMBL16680833

SCHEMBL16680833

O=C(O)c1ccc(C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACLY P53396 7/20 0.38
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
PDE3B Q13370 3/20 0.34
PDE3A Q14432 3/20 0.34
FABP4 P15090 3/20 0.34
LTB4R Q15722 2/20 0.34
LTB4R2 Q9NPC1 2/20 0.34
FFAR4 Q5NUL3 1/20 0.33
KDM1A O60341 1/20 0.33
FABP3 P05413 1/20 0.33
XDH P47989 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL737462 0.94 PDE3B (0.36) ACLYPDE3BPDE3AFABP4LTB4R
SCHEMBL16680958 0.93 RXRA (0.40) RXRARXRBPDE3BPDE3ALTB4R
SCHEMBL2015664 0.90 RXRB (0.47) ACLYRXRARXRBLTB4RLTB4R2
SCHEMBL23784620 0.90 NOTUM (0.37) ACLYPDE3BPDE3ACA1CA2
SCHEMBL16680775 0.88 ACLY (0.35) ACLYRXRARXRBFABP4LTB4R
SCHEMBL16680830 0.88 HSD17B10 (0.35) PDE3BPDE3AFFAR4
SCHEMBL16680821 0.86 PDE3B (0.33) PDE3BPDE3A
SCHEMBL31191610 0.85 RXRA (0.38) ACLYRXRARXRBFFAR4CA1
SCHEMBL16681049 0.85 PDE3B (0.41) PDE3BPDE3A
SCHEMBL20548197 0.85 PDK2 (0.41) FABP4FABP3XDHCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3063144-B1 ANTIPARASITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-09-08 EP disclosed
EP-3063144-B1 ANTIPARASITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-09-08 EP disclosed
EP-3733664-A1 ANTIPARISITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2020-11-04 EP disclosed
US-9447084-B2 Antiparisitic and pesticidal isoxazoline compounds MERIAL, INC. (US) 2016-09-20 US disclosed
US-9447084-B2 Antiparisitic and pesticidal isoxazoline compounds MERIAL, INC. (US) 2016-09-20 US disclosed
EP-3063144-A1 ANTIPARISITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS Merial, Inc. (US) 2016-09-07 EP disclosed
US-20150126523-A1 ANTIPARISITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS MERIAL LIMITED (US) 2015-05-07 US disclosed
US-20150126523-A1 ANTIPARISITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS MERIAL LIMITED (US) 2015-05-07 US disclosed
WO-2015066277-A1 ANTIPARISITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS MERIAL LIMITED (US) 2015-05-07 WO disclosed
WO-2015066277-A1 ANTIPARISITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS MERIAL LIMITED (US) 2015-05-07 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 (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-20150126523-A1 ANTIPARISITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS ACHE, PRDX1, CHRM1 ACLY 675/4885RXRA 2191/4885RXRB 1792/4885

“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.