SCHEMBL870417

SCHEMBL870417

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.34
ACLY P53396 1/20 0.32
ORAI1 Q96D31 1/20 0.32
DHODH Q02127 2/20 0.31
GRM2 Q14416 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
SSTR5 P35346 1/20 0.31
EPAS1 Q99814 1/20 0.31
FABP4 P15090 1/20 0.30
FABP5 Q01469 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
SCHEMBL871382 0.94 PDK2 (0.36) PDK2ACLYORAI1DHODHCA1
SCHEMBL21863425 0.94 PDK2 (0.36) PDK2ACLYORAI1DHODHCA1
SCHEMBL869871 0.90 PDK2 (0.40) PDK2CA1CA2EPAS1
SCHEMBL13458407 0.89 PDK2 (0.33) PDK2ORAI1DHODH
SCHEMBL30313890 0.89 ACLY (0.38) PDK2ACLYORAI1DHODH
SCHEMBL2780339 0.89 ACLY (0.38) PDK2ACLYORAI1DHODH
SCHEMBL870558 0.88 LTB4R (0.32) PDK2CA1CA2
SCHEMBL10072339 0.88 HPGD (0.35) PDK2ORAI1CA1CA2
SCHEMBL871282 0.88 PDK2 (0.37) PDK2ORAI1CA1CA2
SCHEMBL1936965 0.88 FABP4 (0.34) PDK2ACLYORAI1DHODHCA1

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 11 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-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
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
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 PDK2 618/4885ACLY 1356/4885ORAI1 3598/4885

“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.