SCHEMBL7357150

SCHEMBL7357150

CS(=O)(=O)N[C@@H](CC(N)=O)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.40
CA2 P00918 5/20 0.34
CA1 P00915 4/20 0.34
SCN9A Q15858 1/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7357154 1.00 ECE1 (0.40) ECE1CA2CA1SCN9ACYP3A4
SCHEMBL16886886 1.00 ECE1 (0.40) ECE1CA2CA1SCN9ACYP3A4
SCHEMBL18199346 0.86 ALDH1A1 (0.39) SCN9ACYP3A4CYP2C19ITGB3ITGA2B
SCHEMBL3977107 0.86 ECE1 (0.44) ECE1CA2CA1ITGB3ITGA2B
SCHEMBL18199349 0.86 ALDH1A1 (0.39) SCN9ACYP3A4CYP2C19ITGB3ITGA2B
SCHEMBL18199347 0.86 ALDH1A1 (0.39) SCN9ACYP3A4CYP2C19ITGB3ITGA2B
SCHEMBL20335048 0.86 ECE1 (0.44) ECE1CA2CA1ITGB3ITGA2B
SCHEMBL3977104 0.86 SCN9A (0.36) CA2CA1SCN9ACYP3A4CYP2C19
SCHEMBL20335047 0.86 ECE1 (0.44) ECE1CA2CA1ITGB3ITGA2B
SCHEMBL12069014 0.81 SCN9A (0.34) CA2CA1SCN9ACYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005448-A2 NOVEL INHIBITORS OF AGGRECANASE AND MATRIX METALLOPROTEINASES FOR THE TREATMENT OF ARTHRITIS Du Pont Pharmaceuticals Company (US) 2000-06-07 EP claimed
WO-1999009000-A2 NOVEL INHIBITORS OF AGGRECANASE AND MATRIX METALLOPROTEINASES FOR THE TREATMENT OF ARTHRITIS DU PONT PHARMACEUTICALS COMPANY (US) 1999-02-25 WO claimed
US-9902726-B2 Pyridone-sulfone morphinan analogs as opioid receptor ligands PURDUE PHARMA L.P. (US) 2018-02-27 US disclosed
US-20160318932-A1 PYRIDONE-SULFONE MORPHINAN ANALOGS AS OPIOID RECEPTOR LIGANDS PURDUE PHARMA L.P. 2016-11-03 US disclosed
WO-2015102682-A1 PYRIDONE-SULFONE MORPHINAN ANALOGS AS OPIOID RECEPTOR LIGANDS PURDUE PHARMA L.P. (US) 2015-07-09 WO disclosed
EP-1005448-A2 NOVEL INHIBITORS OF AGGRECANASE AND MATRIX METALLOPROTEINASES FOR THE TREATMENT OF ARTHRITIS Du Pont Pharmaceuticals Company (US) 2000-06-07 EP disclosed
WO-1999009000-A2 NOVEL INHIBITORS OF AGGRECANASE AND MATRIX METALLOPROTEINASES FOR THE TREATMENT OF ARTHRITIS DU PONT PHARMACEUTICALS COMPANY (US) 1999-02-25 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-20160318932-A1 PYRIDONE-SULFONE MORPHINAN ANALOGS AS OPIOID RECEPTOR LIGANDS OPRK1, OPRM1, OPRL1 ECE1 1929/4885CA2 4457/4885CA1 4837/4885

“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.