SCHEMBL4505865

SCHEMBL4505865

CCCCOc1ccc(CN2CCSCC(NC(=O)[C@H](OC)[C@@H]3OC(C)(C)O[C@H](C=CC(C)(C)C)[C@@H]3O)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 17/20 0.40

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
SCHEMBL4488430 0.90 SRC (0.43) SRC
SCHEMBL4495142 0.88 SRC (0.41) SRC
SCHEMBL4503178 0.88 SRC (0.40) SRC
SCHEMBL13818399 0.86 SRC (0.36) SRC
SCHEMBL4488891 0.86 SRC (0.37) SRC
SCHEMBL4505004 0.82 SRC (0.33) SRC
SCHEMBL4506069 0.78 SRC (0.48) SRC
SCHEMBL4506077 0.78 SRC (0.48) SRC
SCHEMBL4506074 0.78 SRC (0.48) SRC
SCHEMBL4481471 0.77 METAP1 (0.45) SRC

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 SRC 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.

Send feedback