SCHEMBL4497937

SCHEMBL4497937

CO[C@@H](C(=O)NC1Cc2ccccc2NC1=O)[C@H](O)[C@@H](O)[C@H](O)C=CC(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 7/20 0.69
METAP2 P50579 3/20 0.50
PYGL P06737 8/20 0.42
PYGM P11217 6/20 0.42
EPHX2 P34913 1/20 0.36
F11 P03951 1/20 0.36

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
SCHEMBL4497926 1.00 METAP1 (0.69) METAP1METAP2PYGLPYGMEPHX2
SCHEMBL4491714 0.92 METAP1 (0.65) METAP1METAP2PYGLPYGM
SCHEMBL13818349 0.92 METAP1 (0.65) METAP1METAP2PYGLPYGM
SCHEMBL4491725 0.92 METAP1 (0.65) METAP1METAP2PYGLPYGM
SCHEMBL13818427 0.92 METAP1 (0.65) METAP1METAP2PYGLPYGM
SCHEMBL2238145 0.87 METAP1 (0.61) METAP1METAP2EPHX2
SCHEMBL12345836 0.87 METAP1 (0.61) METAP1METAP2EPHX2
SCHEMBL2238149 0.87 METAP1 (0.61) METAP1METAP2EPHX2
SCHEMBL2238129 0.87 METAP1 (0.61) METAP1METAP2EPHX2
SCHEMBL4494589 0.84 METAP1 (0.58) METAP1METAP2

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-7550453-B2 Anticancer agents; colon cancer or hepatocellular carcinoma; analogs of bengamide where the caprolactam ring is changed and/or substituted e.g. N-(2-Methyl-3-oxo-2,3,4,5-tetrahydro-1H-2-benzazepin-4-yl)-(E)-(2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enamide AVENTIS PHARMA SA (FR) 2009-06-23 US disclosed
US-20070244087-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2007-10-18 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-20070244087-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF HCCS, ALKBH2, ALKBH3 METAP1 3892/4885METAP2 3038/4885PYGL 1766/4885

“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.