SCHEMBL6924248

SCHEMBL6924248

Fc1cccc2c(Nc3cccc(OC(F)(F)C(F)(F)F)c3)noc12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.58
KIT P10721 4/20 0.46
SYK P43405 1/20 0.44
DDR1 Q08345 1/20 0.42
TRPA1 O75762 1/20 0.38
PIM1 P11309 1/20 0.37
CTSC P53634 1/20 0.36
LCK P06239 1/20 0.36
CSF1R P07333 1/20 0.36
SRC P12931 1/20 0.36
PDGFRA P16234 1/20 0.36
KDR P35968 1/20 0.36
SGMS2 Q8NHU3 1/20 0.36

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
SCHEMBL14805009 0.91 EPHX2 (0.56) EPHX2KITSYKDDR1TRPA1
SCHEMBL6922844 0.83 EPHX2 (0.51) EPHX2KITSYKDDR1
SCHEMBL14805004 0.79 EPHX2 (0.46) EPHX2KITSYKDDR1PDGFRA
SCHEMBL6922978 0.79 ABCG2 (0.49) EPHX2
SCHEMBL6924128 0.76 SYK (0.49) EPHX2SYKLCK
SCHEMBL6922975 0.76 EPHX2 (0.49) EPHX2TRPA1
SCHEMBL6924124 0.74 EPHX2 (0.57) EPHX2SYKDDR1CTSCSGMS2
SCHEMBL14805005 0.73 TUBB4A (0.49) EPHX2DDR1
SCHEMBL6923813 0.73 EGFR (0.52) EPHX2KITKDR
SCHEMBL2769633 0.72 EPHX2 (0.46) EPHX2KITSGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916584-B2 Benzisoxazoles and azabenzisoxazoles as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2014-12-23 US disclosed
US-20130079366-A1 Benzisoxazoles and Azabenzisoxazoles as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction VANDERBILT UNIVERSITY (US) 2013-03-28 US disclosed
WO-2011100614-A1 BENZISOXAZOLES AND AZABENZISOXAZOLES AS mgluR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2011-08-18 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-20130079366-A1 Benzisoxazoles and Azabenzisoxazoles as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction GRIK4, GRM4, GRIA4 EPHX2 2498/4885KIT 4817/4885SYK 3831/4885

“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.