SCHEMBL4495162

SCHEMBL4495162

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
HSD11B1 P28845 1/20 0.38
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
NR1I2 O75469 1/20 0.35
RCE1 Q9Y256 1/20 0.35
SLC6A2 P23975 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
RORC P51449 1/20 0.35
KCNH2 Q12809 1/20 0.35
ATM Q13315 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
SCHEMBL6180916 0.94 KMT2A (0.44) KIF11KMT2AMEN1HSD11B1NR1I2
SCHEMBL2376809 0.79 ALDH1A1 (0.47)
SCHEMBL17803562 0.78 KIF11 (0.56) KIF11KMT2AMEN1HSD11B1NR1I2
SCHEMBL13974830 0.77 EGFR (0.44) KIF11KMT2AMEN1RXRARXRB
SCHEMBL4490768 0.76 HSD11B1 (0.49) KIF11HSD11B1
SCHEMBL547767 0.76 KIF11 (0.44) KIF11KMT2AMEN1CYP2C9HSD11B1
SCHEMBL18802754 0.76 KIF11 (0.44) KIF11KMT2AMEN1CYP2C9HSD11B1
SCHEMBL22280037 0.75 KIF11 (0.41) KIF11KMT2AMEN1HSD11B1NR1I2
SCHEMBL2376439 0.75 MMP12 (0.49) NR1I2RCE1MMP12MMP13RORC
SCHEMBL5009841 0.74 RXRA (0.38) CYP2C9HSD11B1RXRARXRBRXRG

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 KIF11 4535/4885KMT2A 1144/4885MEN1 2309/4885

“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.