SCHEMBL4487851

SCHEMBL4487851

CO[C@@H](C(=O)NC1CSCCN(CCN(C)C)C1=O)[C@H](O)[C@@H](O)[C@H](O)C=CC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ METAP1 P53582 8/20 0.47
▸ METAP2 P50579 2/20 0.43
▸ SRC P12931 10/20 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
SCHEMBL4487848 1.00 METAP1 (0.47) METAP1METAP2SRC
SCHEMBL4499180 0.83 METAP1 (0.54) METAP1METAP2SRC
SCHEMBL4499178 0.83 METAP1 (0.54) METAP1METAP2SRC
SCHEMBL13824472 0.83 METAP1 (0.54) METAP1METAP2SRC
SCHEMBL4505980 0.82 METAP1 (0.46) METAP1METAP2SRC
SCHEMBL4505983 0.82 METAP1 (0.46) METAP1METAP2SRC
SCHEMBL4486664 0.81 METAP1 (0.45) METAP1METAP2SRC
SCHEMBL4486660 0.81 METAP1 (0.45) METAP1METAP2SRC
SCHEMBL4498024 0.80 METAP1 (0.46) METAP1METAP2SRC
SCHEMBL4498022 0.80 METAP1 (0.46) METAP1METAP2SRC

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 3038/4885SRC 716/4885

“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.

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