SCHEMBL4498767

SCHEMBL4498767

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

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.61
CA12 O43570 14/20 0.61
CA9 Q16790 14/20 0.61
KIF11 P52732 1/20 0.61
CA1 P00915 14/20 0.54
CA14 Q9ULX7 9/20 0.54
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD11B1 P28845 1/20 0.47

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
SCHEMBL3637984 0.94 CA2 (0.55) CA2CA12CA9KIF11CA1
SCHEMBL18118194 0.84 CA2 (0.67) CA2CA12CA9KIF11CA1
SCHEMBL4490768 0.82 HSD11B1 (0.49) KIF11HSD11B1
SCHEMBL18802754 0.78 KIF11 (0.44) KIF11MEN1KMT2AHSD11B1
SCHEMBL547767 0.78 KIF11 (0.44) KIF11MEN1KMT2AHSD11B1
SCHEMBL2906790 0.77 HSD11B1 (0.65) HSD11B1
SCHEMBL283836 0.77 CA2 (0.70) CA2CA12CA9KIF11CA1
SCHEMBL28345242 0.77 CA2 (0.59) CA2CA12CA9KIF11CA1
SCHEMBL25516405 0.77 KMT2A (0.57) CA2CA12CA9KIF11CA1
SCHEMBL20680957 0.75 KIF11 (0.59) CA2CA12CA9KIF11CA1

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 CA2 2379/4885CA12 4410/4885CA9 2354/4885

“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.