SCHEMBL4493582

SCHEMBL4493582

CC(C)(O)c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.54
NR1H3 Q13133 12/20 0.54
RXRA P19793 8/20 0.54
CYP2C9 P11712 1/20 0.43
KIF11 P52732 1/20 0.42
KCNH2 Q12809 1/20 0.42
HSD11B1 P28845 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
SCHEMBL4490768 0.83 HSD11B1 (0.49) KIF11HSD11B1
SCHEMBL12157465 0.81 KIF11 (0.48) NR1H2NR1H3RXRAKIF11HSD11B1
SCHEMBL6243674 0.80 KCNH2 (0.50) NR1H2NR1H3KCNH2
SCHEMBL2140712 0.79 PTGS2 (0.53) NR1H2NR1H3RXRAKCNH2
SCHEMBL25094229 0.78 KIF11 (0.51) NR1H2NR1H3RXRACYP2C9KIF11
SCHEMBL547993 0.77 RXRA (0.51) RXRACYP2C9KIF11KCNH2
SCHEMBL4517154 0.77 CYP2C9 (0.48) RXRACYP2C9KIF11
SCHEMBL1687505 0.77 NR1H2 (0.52) NR1H2NR1H3KCNH2
SCHEMBL13239460 0.77 ENPP2 (0.54) KIF11HSD11B1
SCHEMBL5831675 0.76 PTGS2 (0.56) NR1H2NR1H3

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 NR1H2 1720/4885NR1H3 1858/4885RXRA 1675/4885

“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.