SCHEMBL16680958

SCHEMBL16680958

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
PDE3B Q13370 11/20 0.39
PDE3A Q14432 11/20 0.39
RXRG P48443 1/20 0.36
CES2 O00748 1/20 0.35
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
CCR2 P41597 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ASPH Q12797 1/20 0.33
EPRS1 P07814 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 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
SCHEMBL16680833 0.93 ACLY (0.38) RXRARXRBPDE3BPDE3AXDH
SCHEMBL3664131 0.89 RXRB (0.55) RXRARXRBPDE3BPDE3ARXRG
SCHEMBL30855392 0.89 RXRB (0.55) RXRARXRBPDE3BPDE3ARXRG
SCHEMBL737462 0.88 PDE3B (0.36) PDE3BPDE3AASPHLTB4RLTB4R2
SCHEMBL2015664 0.83 RXRB (0.47) RXRARXRBRXRGLTB4RLTB4R2
SCHEMBL31191616 0.83 RXRB (0.44) RXRARXRBPDE3BPDE3ARXRG
SCHEMBL23784620 0.83 NOTUM (0.37) PDE3BPDE3AKDM4EALDH1A1
SCHEMBL872236 0.82 RXRA (0.34) RXRARXRBXDHSLC22A12CCR2
SCHEMBL16680775 0.81 ACLY (0.35) RXRARXRBLTB4RLTB4R2
SCHEMBL16680830 0.81 HSD17B10 (0.35) PDE3BPDE3AKDM4EALDH1A1HPGD

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 RXRA 2191/4885RXRB 1792/4885PDE3B 137/4885

“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.