SCHEMBL4807901

SCHEMBL4807901

CO/N=C(/CC(=O)O)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
GSK3B P49841 1/20 0.44
ALDH1A1 P00352 2/20 0.43
DRD4 P21917 4/20 0.41
RAB9A P51151 3/20 0.41
DRD2 P14416 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
PTBP1 P26599 1/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 2/20 0.41

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
SCHEMBL4807912 1.00 PPARG (0.44) PPARGPPARAGSK3BALDH1A1DRD4
SCHEMBL15239274 0.85 CA1 (0.48) GSK3BALDH1A1MEN1KMT2ALMNA
SCHEMBL15239276 0.85 CA1 (0.48) GSK3BALDH1A1MEN1KMT2ALMNA
SCHEMBL8017837 0.84 TSHR (0.48) PPARAGSK3BALDH1A1MEN1KMT2A
SCHEMBL8017835 0.84 TSHR (0.48) PPARAGSK3BALDH1A1MEN1KMT2A
SCHEMBL4806906 0.83 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL4806901 0.83 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL6811236 0.79 TRPA1 (0.49) GSK3BDRD4RAB9ADRD2MEN1
SCHEMBL4467279 0.77 GSK3B (0.71) PPARGPPARAGSK3BALDH1A1DRD4
SCHEMBL4467283 0.77 GSK3B (0.71) PPARGPPARAGSK3BALDH1A1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390925-B2 Oxime-containing acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-24 US disclosed
US-7390925-B2 Oxime-containing acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-24 US disclosed
US-20070232581-A1 Oxime-Containing Acyl Guanidines as Beta-Secretase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 US disclosed
US-20070232581-A1 Oxime-Containing Acyl Guanidines as Beta-Secretase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 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-20070232581-A1 Oxime-Containing Acyl Guanidines as Beta-Secretase Inhibitors BACE1, APP, BACE2 PPARG 2948/4885PPARA 3555/4885GSK3B 123/4885

“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.