SCHEMBL4508570

SCHEMBL4508570

C=CCN1C(=O)C(NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)C=CC(C)(C)C)CSc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 5/20 0.53
ACE P12821 4/20 0.44
MME P08473 3/20 0.44
XIAP P98170 1/20 0.42
METAP2 P50579 1/20 0.41
SRC P12931 3/20 0.38
F7 P08709 2/20 0.35
F3 P13726 2/20 0.35
F2 P00734 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
SCHEMBL4508566 1.00 METAP1 (0.53) METAP1ACEMMEXIAPMETAP2
SCHEMBL14387579 0.90 XIAP (0.53) METAP1ACEMMEXIAPMETAP2
SCHEMBL2000131 0.90 XIAP (0.53) METAP1ACEMMEXIAPMETAP2
SCHEMBL2000132 0.90 XIAP (0.53) METAP1ACEMMEXIAPMETAP2
SCHEMBL1997611 0.88 METAP1 (0.57) METAP1ACEMMEXIAPMETAP2
SCHEMBL1993833 0.88 METAP1 (0.57) METAP1ACEMMEXIAPMETAP2
SCHEMBL1993834 0.88 METAP1 (0.57) METAP1ACEMMEXIAPMETAP2
SCHEMBL1998952 0.86 METAP1 (0.49) METAP1ACEMMEXIAPMETAP2
SCHEMBL4484884 0.86 METAP1 (0.49) METAP1ACEMMEXIAPMETAP2
SCHEMBL1998951 0.86 METAP1 (0.49) METAP1ACEMMEXIAPMETAP2

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-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
EP-1819679-A2 2-ALCOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF Aventis Pharma S.A. (FR) 2007-08-22 EP disclosed
WO-2006056696-A2 2-ALCOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2006-06-01 WO 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 3892/4885ACE 3724/4885MME 3840/4885

“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.