SCHEMBL870666

SCHEMBL870666

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.34
LMNA P02545 3/20 0.34
GAA P10253 1/20 0.34
PDK2 Q15119 6/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
BDKRB1 P46663 1/20 0.32
ALOX5AP P20292 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
TSHR P16473 1/20 0.30
HTT P42858 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
SCHEMBL869874 0.94 CFTR (0.37) CFTRLMNAGAAPDK2MAPT
SCHEMBL10072323 0.91 CFTR (0.34) CFTRLMNAGAAPDK2MAPT
SCHEMBL980171 0.90 PDK2 (0.39) CFTRLMNAGAAPDK2MAPT
SCHEMBL10072338 0.90 PDK2 (0.34) LMNAGAAPDK2MAPTMEN1
SCHEMBL870558 0.90 LTB4R (0.32) PDK2KDM4ECA1CA2ALOX5AP
SCHEMBL869871 0.89 PDK2 (0.40) LMNAGAAPDK2MAPTMEN1
SCHEMBL871262 0.87 PDK2 (0.40) LMNAGAAPDK2MAPTMEN1
SCHEMBL871766 0.87 KDM4E (0.33) PDK2MAPTMEN1KMT2AKDM4E
SCHEMBL870037 0.86 PDK2 (0.43) LMNAGAAPDK2MAPTMEN1
SCHEMBL869547 0.85 PDK2 (0.42) LMNAGAAPDK2MAPTKMT2A

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 7 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
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 CFTR 1430/4885LMNA 1737/4885GAA 2228/4885

“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.