SCHEMBL14002243

SCHEMBL14002243

CC(=O)c1cc(OCc2ccccc2)cc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NR4A2 P43354 1/20 0.48
MAOA P21397 2/20 0.46
GCK P35557 1/20 0.46

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
SCHEMBL89330 0.88 LMNA (0.55) MAOBMEN1KMT2ASMN1; SMN2NR4A2
SCHEMBL8896523 0.87 MEN1 (0.50) MAOBMEN1KMT2AALDH1A1HTT
SCHEMBL2450743 0.86 MAOB (0.77) MAOBMEN1KMT2AALDH1A1HTT
SCHEMBL13599949 0.86 MEN1 (0.49) MAOBMEN1KMT2ANR4A2
SCHEMBL7419857 0.84 GRM5 (0.51) MAOBMEN1KMT2ASMN1; SMN2
SCHEMBL200874 0.83 HSD11B1 (0.46) MAOBMEN1KMT2A
SCHEMBL3718587 0.83 LTB4R (0.52) MEN1KMT2ANR4A2
SCHEMBL27797837 0.82 MEN1 (0.45) MAOBMEN1KMT2AALDH1A1
SCHEMBL23525921 0.82 MAOB (0.64) MAOBMEN1KMT2AALDH1A1HTT
SCHEMBL1592632 0.81 MEN1 (0.47) MAOBMEN1KMT2AALDH1A1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449599-B2 Phenyl carboxamide compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease MERCK + CO INC. (US) 2008-11-11 US disclosed
US-20070254958-A1 Phenyl Carboxamide Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME CORP. 2007-11-01 US 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-20070254958-A1 Phenyl Carboxamide Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, APP MAOB 319/4885MEN1 3310/4885KMT2A 1298/4885

“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.