SCHEMBL4495145

SCHEMBL4495145

CO[C@@H](C(=O)NC1CSCCN(Cc2ccc3ccccc3c2)C1=O)[C@@H]1OC(C)(C)O[C@H](C=CC(C)(C)C)[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 14/20 0.41
▸ CASP1 P29466 2/20 0.38
▸ CASP8 Q14790 2/20 0.38
▸ XIAP P98170 2/20 0.34

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
SCHEMBL4495142 1.00 SRC (0.41) SRCCASP1CASP8XIAP
SCHEMBL4488430 0.92 SRC (0.43) SRCCASP1CASP8
SCHEMBL4503178 0.91 SRC (0.40) SRCCASP1CASP8
SCHEMBL4503180 0.91 SRC (0.40) SRCCASP1CASP8
SCHEMBL4500277 0.88 SRC (0.36) SRCCASP1CASP8
SCHEMBL13818399 0.88 SRC (0.36) SRCCASP1CASP8
SCHEMBL4488891 0.88 SRC (0.37) SRCCASP1
SCHEMBL4488892 0.88 SRC (0.37) SRCCASP1
SCHEMBL4505863 0.88 SRC (0.40) SRC
SCHEMBL4505001 0.82 SRC (0.33) SRCCASP1CASP8

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 SRC 716/4885CASP1 1813/4885CASP8 753/4885

“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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