SCHEMBL14728013

SCHEMBL14728013

CC(C)(C)OC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MIF P14174 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
SCHEMBL738679 0.91 CA1 (0.37) CA1CA2MAPT
SCHEMBL1358620 0.90 KDM4E (0.33) CA1CA2TP53MAPTALOX15
SCHEMBL14728014 0.88 CA1 (0.32) CA1CA2TP53MAPTALOX15
SCHEMBL2015760 0.88 CA1 (0.32) CA1CA2MIF
SCHEMBL2015655 0.86 CA1 (0.35) CA1CA2
SCHEMBL2011937 0.84 RXRA (0.35) CA1CA2MIF
SCHEMBL2013988 0.83 KDM4E (0.34) CA1CA2TP53MAPTALOX15
SCHEMBL18112625 0.82 MEN1 (0.31)
SCHEMBL18112624 0.82 MEN1 (0.31)
SCHEMBL14722605 0.81 MIF (0.32) CA1CA2TP53MAPTALOX15

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-2748155-B1 ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-20 EP disclosed
US-9247740-B2 Isoxazoline derivatives as insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-02-02 US disclosed
US-9247740-B2 Isoxazoline derivatives as insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-02-02 US disclosed
US-20140206606-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-07-24 US disclosed
US-20140206606-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-07-24 US disclosed
WO-2013026931-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-02-28 WO disclosed
WO-2013026695-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-02-28 WO 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-20140206606-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS CHRM1, CHRM3, CHRM2 CA1 1012/4885CA2 380/4885TP53 4634/4885

“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.