SCHEMBL13818391

SCHEMBL13818391

CC(C)(C)OC(=O)NC1CSCCN(Cc2ccc(F)c(F)c2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 11/20 0.47
▸ ALDH1A1 P00352 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ SCN9A Q15858 1/20 0.37

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
SCHEMBL13818394 0.87 SRC (0.49) SRCCASP1
SCHEMBL13818410 0.86 SRC (0.49) SRCCASP1
SCHEMBL13818390 0.85 SRC (0.54) SRCCASP1SCN9A
SCHEMBL5217351 0.85 SRC (0.48) SRCALDH1A1CASP1
SCHEMBL13818397 0.82 SRC (0.46) SRCCASP1
SCHEMBL13818401 0.81 SRC (0.49) SRCALDH1A1
SCHEMBL7428585 0.77 CASP1 (0.43) SRCCASP1
SCHEMBL4498022 0.77 METAP1 (0.46) SRC
SCHEMBL4498024 0.77 METAP1 (0.46) SRC
SCHEMBL10833244 0.76 F2 (0.42) SRCCASP1

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-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
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 716/4885ALDH1A1 324/4885CASP1 1813/4885

“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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