SCHEMBL870558

SCHEMBL870558

O=C(O)c1ccc(C2=NOC(c3cc(F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.32
LTB4R2 Q9NPC1 3/20 0.32
AKR1C3 P42330 2/20 0.31
AKR1C2 P52895 2/20 0.31
AKR1C1 Q04828 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
VNN1 O95497 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RORC P51449 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
PDK2 Q15119 1/20 0.30
XDH P47989 1/20 0.30
SLC22A12 Q96S37 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
SCHEMBL872236 0.94 RXRA (0.34) LTB4RLTB4R2AKR1C3AKR1C2AKR1C1
SCHEMBL870666 0.90 CFTR (0.34) CA1CA2KDM4EALOX5APPDK2
SCHEMBL10072324 0.89 TAS2R14 (0.39) LTB4RLTB4R2HPGDHSD17B10RXRA
SCHEMBL30313890 0.89 ACLY (0.38) LTB4RLTB4R2PDK2GRIK1
SCHEMBL2780339 0.89 ACLY (0.38) LTB4RLTB4R2PDK2GRIK1
SCHEMBL870417 0.88 PDK2 (0.34) CA1CA2PDK2
SCHEMBL10072339 0.88 HPGD (0.35) CA1CA2KDM4EHPGDHSD17B10
SCHEMBL871765 0.87 GPR52 (0.37) ALOX5APFEN1
SCHEMBL870518 0.86 TACR1 (0.32)
SCHEMBL871766 0.86 KDM4E (0.33) KDM4EALDH1A1HPGDPDK2

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 9 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-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
US-8404649-B2 Isoxazoline oximes as antiparasitic agents AH USA 42 LLC (US) 2013-03-26 US disclosed
US-20120077765-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 US disclosed
WO-2012038851-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 WO 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 LTB4R 2430/4885LTB4R2 2462/4885AKR1C3 334/4885

“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.