SCHEMBL14170809

SCHEMBL14170809

CNC1CS(=O)(=O)CCN(CC(=O)OC)C1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 4/20 0.40
▸ MMP1 P03956 7/20 0.39
▸ MMP3 P08254 7/20 0.39
▸ CASP8 Q14790 2/20 0.35
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ MMP7 P09237 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ KMT2A Q03164 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL14170806 0.86 CASP1 (0.41) CASP1CASP8ALDH1A1KDM4E
SCHEMBL14269345 0.80 MMP1 (0.46) MMP1MMP3ITGB3ITGA2BKDM4E
SCHEMBL14170819 0.80 CASP1 (0.35) CASP1CASP8
SCHEMBL14170810 0.80 MMP1 (0.34) CASP1MMP1MMP3CASP8
SCHEMBL14170824 0.77 CASP1 (0.34) CASP1CASP8
SCHEMBL14170758 0.77 MMP1 (0.39) CASP1MMP1MMP3CASP8
SCHEMBL14170812 0.76 PIK3CD (0.44) CASP1POLB
SCHEMBL14170822 0.76 CASP1 (0.33) CASP1
SCHEMBL14170843 0.76 CASP1 (0.33) CASP1
SCHEMBL14170124 0.76 MMP1 (0.57) MMP1MMP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390801-B2 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2008-06-24 — — US disclosed
US-20070203108-A1 Alzheimer's disease; 5-{N'-(4-thianaphthenacetyl)-L-alaninyl}-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one THORSETT EUGENE D 2007-08-30 — — US disclosed
US-20070203108-A1 Alzheimer's disease; 5-{N'-(4-thianaphthenacetyl)-L-alaninyl}-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one THORSETT EUGENE D 2007-08-30 — — 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-20070203108-A1 Alzheimer's disease; 5-{N'-(4-thianaphthenacetyl)-L-alaninyl}-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one APP, BACE1, PSEN1 CASP1 3289/4885MMP1 3311/4885MMP3 1851/4885

“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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