SCHEMBL4501897

SCHEMBL4501897

CC(C)(C(N)=O)c1ccc(-c2ccc(C(O)C(F)F)cc2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.53
AKR1C3 P42330 7/20 0.50
AKR1C2 P52895 7/20 0.50
CYP2C9 P11712 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 3/20 0.40
PTGS1 P23219 3/20 0.40
MEN1 O00255 2/20 0.40
PTGS2 P35354 2/20 0.40
KMT2A Q03164 2/20 0.40
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
FABP2 P12104 1/20 0.40
TSHR P16473 1/20 0.40
AKR1C4 P17516 1/20 0.40
ADRA2B P18089 1/20 0.40

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
SCHEMBL4498505 0.88 APP (0.54) APPAKR1C3AKR1C2CYP2C9CYP3A4
SCHEMBL4494820 0.85 APP (0.56) APPAKR1C3AKR1C2CYP2C9CYP3A4
SCHEMBL4496621 0.75 DGAT1 (0.43) APPAKR1C3AKR1C2CYP2C9CYP3A4
SCHEMBL5011613 0.74 APP (0.56) APPAKR1C3AKR1C2CYP2C9CYP3A4
SCHEMBL5009692 0.74 APP (0.56) APPAKR1C3AKR1C2CYP2C9CYP3A4
SCHEMBL4513629 0.72 APP (0.52) APPAKR1C3AKR1C2CYP2C9CYP3A4
SCHEMBL2234152 0.69 AKR1C3 (0.52) APPAKR1C3AKR1C2CYP2C9CYP2C19
SCHEMBL8755138 0.69 APP (0.78) APPAKR1C3AKR1C2CYP2C9CYP3A4
SCHEMBL3938352 0.69 APP (0.78) APPAKR1C3AKR1C2CYP2C9CYP3A4
SCHEMBL6689605 0.68 AKR1C3 (0.78) APPAKR1C3AKR1C2CYP2C9CYP3A4

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 APP 1024/4885AKR1C3 306/4885AKR1C2 419/4885

“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.