SCHEMBL869871

SCHEMBL869871

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.40
EPAS1 Q99814 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
GAA P10253 3/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 4/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31

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
SCHEMBL869547 0.94 PDK2 (0.42) PDK2KDM4ECA1CA2GAA
SCHEMBL16692835 0.91 PDK2 (0.40) PDK2KDM4EGAALMNAMAPT
SCHEMBL980171 0.90 PDK2 (0.39) PDK2KDM4EGAALMNAMAPT
SCHEMBL10072338 0.90 PDK2 (0.34) PDK2KDM4ECA1CA2GAA
SCHEMBL870417 0.90 PDK2 (0.34) PDK2EPAS1CA1CA2
SCHEMBL870666 0.89 CFTR (0.34) PDK2KDM4ECA1CA2GAA
SCHEMBL871262 0.89 PDK2 (0.40) PDK2KDM4ECA1CA2GAA
SCHEMBL870037 0.88 PDK2 (0.43) PDK2KDM4ECA1CA2GAA
SCHEMBL870662 0.88 PDK2 (0.39) PDK2KDM4ECA1CA2GAA
SCHEMBL869751 0.87 KDM4E (0.35) PDK2KDM4EGAAMAPTKMT2A

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
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
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
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 PDK2 618/4885EPAS1 3770/4885KDM4E 3050/4885

“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.