SCHEMBL13764896

SCHEMBL13764896

CCOCO[C@@H](CCCC(=O)N(C)[C@@H](C)C(O)c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
NPY5R Q15761 10/20 0.43
NPY2R P49146 2/20 0.37
SLC6A9 P48067 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL4005444 1.00 GAA (0.46) GAANPY5RNPY2RSLC6A9ALDH1A1
SCHEMBL13764880 0.87 GAA (0.51) GAANPY5RNPY2RSLC6A9ALDH1A1
SCHEMBL13769307 0.83 GAA (0.56) GAANPY5RNPY2RALDH1A1KDM4E
SCHEMBL4006717 0.82 GAA (0.46) GAANPY5RNPY2RSLC6A9ALDH1A1
SCHEMBL13764895 0.82 GAA (0.46) GAANPY5RNPY2RSLC6A9ALDH1A1
SCHEMBL3999333 0.81 GAA (0.45) GAANPY5RNPY2RSLC6A9ALDH1A1
SCHEMBL4000089 0.77 GAA (0.41) GAANPY5RNPY2R
SCHEMBL16597152 0.76 GAA (0.55) GAANPY5RALDH1A1KDM4E
SCHEMBL13764906 0.76 GAA (0.55) GAANPY5RALDH1A1KDM4E
SCHEMBL4004397 0.75 MMP1 (0.40) ALDH1A1CYP2D6MAPT

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-7563888-B2 Process for the preparation of diphenyl azetidinone derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-07-21 US disclosed
US-7563888-B2 Process for the preparation of diphenyl azetidinone derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-07-21 US disclosed
US-20070149501-A1 PROCESS FOR THE PREPARATION OF DIPHENYL AZETIDINONE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-28 US disclosed
US-20070149501-A1 PROCESS FOR THE PREPARATION OF DIPHENYL AZETIDINONE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-28 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-20070149501-A1 PROCESS FOR THE PREPARATION OF DIPHENYL AZETIDINONE DERIVATIVES CYP46A1, APOB, DHCR7 GAA 1290/4885NPY5R 714/4885NPY2R 755/4885

“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.