SCHEMBL14958243

SCHEMBL14958243

COC(=O)c1ccc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.39
KDM4E B2RXH2 2/20 0.37
F2 P00734 3/20 0.33
F10 P00742 3/20 0.33
PRSS1 P07477 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
NOTUM Q6P988 1/20 0.33
PRF1 P14222 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MAPT P10636 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL23778669 0.93 PDK2 (0.37) PDK2KDM4EF2F10PRSS1
SCHEMBL16680931 0.93 PDK2 (0.37) PDK2KDM4EF2F10PRSS1
SCHEMBL362563 0.91 KDM4E (0.39) PDK2KDM4EF2F10PRSS1
SCHEMBL23778641 0.91 KDM4E (0.39) PDK2KDM4EF2F10PRSS1
SCHEMBL14722605 0.91 MIF (0.32) PDK2KDM4ECA1CA2MAPT
SCHEMBL14722603 0.91 MIF (0.32) PDK2KDM4ECA1CA2MAPT
SCHEMBL31622456 0.89 RXRA (0.41) PDK2KDM4EF2F10PRSS1
SCHEMBL14723349 0.89 RXRB (0.43) PDK2CA1CA2PDE3BPDE3A
SCHEMBL14723352 0.89 RXRB (0.43) PDK2CA1CA2PDE3BPDE3A
SCHEMBL1794297 0.89 CA1 (0.33) PDK2KDM4EF2F10PRSS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2782449-B1 ISOXAZOLINE DERIVATIVES USED IN THE CONTROL OF ECTOPARASITES ANACOR PHARMACEUTICALS INC (US) 2016-08-03 EP disclosed
EP-2782449-A1 ISOXAZOLINE DERIVATIVES USED IN THE CONTROL OF ECTOPARASITES Anacor Pharmaceuticals, Inc. (US) 2014-10-01 EP disclosed
US-8546357-B2 Boron-containing small molecules for controlling ectoparasites ELI LILLY AND COMPANY (US) 2013-10-01 US disclosed
WO-2013078071-A1 ISOXAZOLINE DERIVATIVES USED IN THE CONTROL OF ECTOPARASITES ELI LILLY AND COMPANY (US) 2013-05-30 WO disclosed
US-20130131017-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2013-05-23 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-20130131017-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, RB1 PDK2 3814/4885KDM4E 2393/4885F2 4870/4885

“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.