SCHEMBL2908413

SCHEMBL2908413

Cc1nc(N)nc(N2Cc3ccc(C(=O)NCc4ccc(Cl)cc4C(F)(F)F)cc3C2)n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 18/20 0.46
PPARG P37231 1/20 0.45
EPHX2 P34913 1/20 0.42

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
SCHEMBL13882118 0.82 EPHX2 (0.61) DDR1EPHX2
SCHEMBL2906200 0.81 EPHX2 (0.47) PPARGEPHX2
SCHEMBL2901573 0.80 EPHX2 (0.51) PPARGEPHX2
SCHEMBL3032631 0.80 EPHX2 (0.54) DDR1EPHX2
Trifluoroacetic Acid SCHEMBL2901345 0.80 EPHX2 (0.58) DDR1EPHX2
SCHEMBL2906483 0.79 LMNA (0.46) DDR1EPHX2
SCHEMBL2904563 0.79 EPHX2 (0.62) EPHX2
SCHEMBL2904023 0.78 EPHX2 (0.43) DDR1EPHX2
SCHEMBL2903561 0.77 EPHX2 (0.61) DDR1EPHX2
SCHEMBL3470922 0.75 EPHX2 (0.49) PPARGEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210655-A1 NOVEL sEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-08-19 US claimed
EP-2217068-A1 NOVEL sEH INHIBITORS AND THEIR USE GlaxoSmithKline LLC (US) 2010-08-18 EP claimed
WO-2009049154-A1 NOVEL sEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO claimed
US-20100210655-A1 NOVEL sEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-08-19 US disclosed
US-20100210655-A1 NOVEL sEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-08-19 US disclosed
US-20100210655-A1 NOVEL sEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-08-19 US disclosed
EP-2217068-A1 NOVEL sEH INHIBITORS AND THEIR USE GlaxoSmithKline LLC (US) 2010-08-18 EP disclosed
WO-2009049154-A1 NOVEL sEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed
WO-2009049154-A1 NOVEL sEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 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-20100210655-A1 NOVEL sEH INHIBITORS AND THEIR USE EPHX1, NCEH1, FAH DDR1 4476/4885PPARG 4031/4885EPHX2 5/4885

“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.