SCHEMBL3470577

SCHEMBL3470577

O=C(NCc1ccccc1C(F)(F)F)c1ccc2[nH]ccc2c1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 18/20 0.67
PPARG P37231 7/20 0.67
CTNNB1 P35222 1/20 0.58
WNT3A P56704 1/20 0.58
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52

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
SCHEMBL3025736 0.84 ROCK2 (0.57) EPHX2PPARGCTNNB1WNT3AROCK2
SCHEMBL5407860 0.82 CTNNB1 (0.60) EPHX2PPARGCTNNB1WNT3AROCK2
SCHEMBL9764513 0.79 CTNNB1 (0.58) EPHX2CTNNB1WNT3AROCK1
SCHEMBL8535075 0.77 HDAC1 (0.55) EPHX2PPARGCTNNB1WNT3A
SCHEMBL5643051 0.77 EPHX2 (0.79) EPHX2PPARG
SCHEMBL3470247 0.75 EPHX2 (0.58) EPHX2PPARGROCK2ROCK1
SCHEMBL28207104 0.75 EPHX2 (0.71) EPHX2PPARG
SCHEMBL3430846 0.75 CHRNA7 (0.58) EPHX2PPARG
SCHEMBL1222115 0.75 CTNNB1 (0.56) EPHX2PPARGCTNNB1WNT3A
SCHEMBL3470919 0.74 EPHX2 (0.54) EPHX2PPARGROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261743-A1 NOVEL SEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-10-14 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-20100261743-A1 NOVEL SEH INHIBITORS AND THEIR USE EPHX1, REN, NCEH1 EPHX2 9/4885PPARG 3681/4885CTNNB1 3103/4885

“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.