SCHEMBL4514080

SCHEMBL4514080

CC(C(N)=O)c1ccc(-c2ccc([C@@H](O)C(F)(F)F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
PTGS2 P35354 1/20 0.43
CTSK P43235 3/20 0.42
APP P05067 1/20 0.41
PTPN5 P54829 2/20 0.40
KIF11 P52732 1/20 0.39
KDM5B Q9UGL1 1/20 0.38

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
SCHEMBL4499429 1.00 EPHX1 (0.47) EPHX1PTGS2CTSKAPPPTPN5
SCHEMBL4503784 0.85 PTGS2 (0.62) PTGS2APP
SCHEMBL4495542 0.85 PTGS2 (0.62) PTGS2APP
SCHEMBL4495091 0.83 EPHX1 (0.47) EPHX1PTGS2CTSKAPPPTPN5
SCHEMBL4492300 0.83 APP (0.62) PTGS2APP
SCHEMBL7020455 0.81 KIF11 (0.51) EPHX1PTGS2PTPN5KIF11
SCHEMBL4515042 0.78 PTPN5 (0.51) CTSKPTPN5KIF11KDM5B
SCHEMBL8696877 0.77 PTGS2 (0.71) EPHX1PTGS2
SCHEMBL2055563 0.75 EPHX1 (0.53) EPHX1APPKIF11
SCHEMBL19024394 0.75 EPHX1 (0.53) EPHX1APPKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 US claimed
US-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 US disclosed
US-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 US disclosed
US-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 US disclosed
WO-2006133559-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B MERCK FROSST CANADA LTD. (CA) 2006-12-21 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-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MAOB, MAOA, XDH EPHX1 176/4885PTGS2 1499/4885CTSK 1101/4885

“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.