SCHEMBL4490768

SCHEMBL4490768

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

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.49
ENPP2 Q13822 2/20 0.48
PTGS2 P35354 13/20 0.47
KIF11 P52732 1/20 0.45
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL13239460 0.94 ENPP2 (0.54) HSD11B1ENPP2PTGS2KIF11EPHX2
SCHEMBL12632467 0.83 ALDH1A1 (0.57) HSD11B1ENPP2PTGS2KIF11EPHX2
SCHEMBL4493582 0.83 NR1H2 (0.54) HSD11B1KIF11
SCHEMBL4498767 0.82 CA2 (0.61) HSD11B1KIF11
SCHEMBL11848600 0.82 PTGS2 (0.45) ENPP2PTGS2KIF11EPHX2NR1H4
SCHEMBL23893664 0.81 ENPP2 (0.54) HSD11B1ENPP2PTGS2KIF11EPHX2
SCHEMBL18802754 0.80 KIF11 (0.44) HSD11B1KIF11
SCHEMBL547767 0.80 KIF11 (0.44) HSD11B1KIF11
SCHEMBL7677302 0.80 PTGS2 (0.62) ENPP2PTGS2KIF11
SCHEMBL10300269 0.80 PTGS2 (0.62) ENPP2PTGS2KIF11

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 HSD11B1 617/4885ENPP2 949/4885PTGS2 1499/4885

“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.