SCHEMBL3470919

SCHEMBL3470919

O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)CCNC2

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 16/20 0.54
PPARG P37231 7/20 0.52
ROCK2 O75116 2/20 0.49
ROCK1 Q13464 1/20 0.48

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
SCHEMBL3470247 0.91 EPHX2 (0.58) EPHX2PPARGROCK2ROCK1
SCHEMBL13112865 0.85 HPGD (0.56) ROCK2ROCK1
SCHEMBL2969531 0.84 EPHX2 (0.52) EPHX2PPARGROCK2ROCK1
SCHEMBL2927034 0.83 EPHX2 (0.55) EPHX2PPARGROCK2ROCK1
SCHEMBL2901231 0.80 EPHX2 (0.53) EPHX2PPARGROCK2ROCK1
SCHEMBL13504959 0.79 SCD5 (0.52)
SCHEMBL1787178 0.79 EPHX2 (0.52) EPHX2PPARGROCK2
Hydrochloric Acid SCHEMBL3606790 0.79 SCD5 (0.51)
SCHEMBL3737330 0.78 PTPN1 (0.43)
Hydrochloric Acid SCHEMBL3729498 0.77 PTPN1 (0.42)

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-20100261743-A1 NOVEL SEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-10-14 US disclosed
US-20100261743-A1 NOVEL SEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-10-14 US disclosed
WO-2009073772-A1 NOVEL SEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 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-20100261743-A1 NOVEL SEH INHIBITORS AND THEIR USE EPHX1, REN, NCEH1 EPHX2 9/4885PPARG 3681/4885ROCK2 133/4885

“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.