SCHEMBL4495091

SCHEMBL4495091

CC(C(N)=O)c1ccc(-c2ccc(C(N)C(F)(F)F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
PTGS2 P35354 1/20 0.43
CTSK P43235 1/20 0.42
APP P05067 1/20 0.41
KIF11 P52732 1/20 0.39
PRCP P42785 1/20 0.38
PTPN5 P54829 2/20 0.37
DGAT1 O75907 2/20 0.37
SOAT1 P35610 1/20 0.37
ALOX5 P09917 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35

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
SCHEMBL4514080 0.83 EPHX1 (0.47) EPHX1PTGS2CTSKAPPKIF11
SCHEMBL4499429 0.83 EPHX1 (0.47) EPHX1PTGS2CTSKAPPKIF11
SCHEMBL4498010 0.83 APP (0.62) PTGS2APPAKR1C3AKR1C2
SCHEMBL7020455 0.81 KIF11 (0.51) EPHX1PTGS2KIF11PTPN5AKR1C3
SCHEMBL8696877 0.77 PTGS2 (0.71) EPHX1PTGS2
SCHEMBL19024394 0.75 EPHX1 (0.53) EPHX1APPKIF11AKR1C3AKR1C2
SCHEMBL2055563 0.75 EPHX1 (0.53) EPHX1APPKIF11AKR1C3AKR1C2
SCHEMBL5787219 0.75 EPHX1 (0.53) EPHX1PTGS2APPKIF11PRCP
SCHEMBL4501892 0.73 CES2 (0.40) PRCP
SCHEMBL2055564 0.72 EPHX1 (0.58) EPHX1APP

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 6 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
EP-1893562-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B Merck Frosst Canada Ltd. (CA) 2008-03-05 EP claimed
WO-2006133559-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B MERCK FROSST CANADA LTD. (CA) 2006-12-21 WO claimed
US-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 US disclosed
EP-1893562-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B Merck Frosst Canada Ltd. (CA) 2008-03-05 EP 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.