SCHEMBL4806901

SCHEMBL4806901

CO/N=C(\CC(=O)O)c1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
PKM P14618 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PDE4B Q07343 1/20 0.49
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
PLK1 P53350 1/20 0.47
FFAR1 O14842 1/20 0.47
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL4806906 1.00 ALDH1A1 (0.52) ALDH1A1GAACA1CA2PKM
SCHEMBL28120573 0.85 PPARG (0.61) ALDH1A1GAACA1CA2PKM
SCHEMBL15239274 0.85 CA1 (0.48) ALDH1A1GAACA1CA2MEN1
SCHEMBL15239276 0.85 CA1 (0.48) ALDH1A1GAACA1CA2MEN1
SCHEMBL8017837 0.84 TSHR (0.48) ALDH1A1GAAMEN1KMT2ACES1
SCHEMBL8017835 0.84 TSHR (0.48) ALDH1A1GAAMEN1KMT2ACES1
SCHEMBL4807901 0.83 PPARG (0.44) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL4807912 0.83 PPARG (0.44) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL4809724 0.81 ALDH1A1 (0.51) ALDH1A1GAACA1CA2PKM
SCHEMBL4809728 0.81 ALDH1A1 (0.51) ALDH1A1GAACA1CA2PKM

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 ALDH1A1 1599/4885GAA 70/4885CA1 690/4885

“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.