SCHEMBL16680775

SCHEMBL16680775

O=C(O)c1ccc(C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1CC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACLY P53396 8/20 0.35
LTB4R Q15722 2/20 0.33
LTB4R2 Q9NPC1 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
DCLRE1B Q9H816 1/20 0.31
KDM1A O60341 1/20 0.31
MAPT P10636 1/20 0.30
RHOC P08134 1/20 0.30
RHOA P61586 1/20 0.30
FABP4 P15090 1/20 0.30

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
SCHEMBL16680712 0.88 HSD17B10 (0.34) FFAR4MAPT
SCHEMBL16680833 0.88 ACLY (0.38) ACLYLTB4RLTB4R2FFAR4RXRA
SCHEMBL2015664 0.86 RXRB (0.47) ACLYLTB4RLTB4R2FFAR4RXRA
SCHEMBL16681510 0.85
SCHEMBL14727965 0.85 ACLY (0.35) ACLYLTB4RLTB4R2DCLRE1B
SCHEMBL16680956 0.84
SCHEMBL3457034 0.84 ACLY (0.35) ACLYLTB4RLTB4R2DCLRE1BFABP4
SCHEMBL1795774 0.83 ACLY (0.33) ACLYDCLRE1B
SCHEMBL16680752 0.82 P2RX7 (0.30)
SCHEMBL737462 0.82 PDE3B (0.36) ACLYLTB4RLTB4R2FABP4

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 675/4885LTB4R 176/4885LTB4R2 222/4885

“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.