SCHEMBL7601197

SCHEMBL7601197

O=C(O)C[C@H](NC(=O)CN1CCc2ccccc2C1=O)C(=O)CNS(=O)(=O)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.54
ITGB3 P05106 7/20 0.44
ITGA2B P08514 7/20 0.44
MMP8 P22894 2/20 0.41
MMP12 P39900 2/20 0.41
MMP13 P45452 2/20 0.41
MMP1 P03956 1/20 0.41
MMP7 P09237 1/20 0.41
ALDH1A1 P00352 1/20 0.38
CASP3 P42574 1/20 0.38
CASP9 P55211 1/20 0.38
CASP8 Q14790 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL7382605 1.00 CASP1 (0.54) CASP1ITGB3ITGA2BMMP8MMP12
SCHEMBL7383422 0.92 ITGB3 (0.45) CASP1ITGB3ITGA2BALDH1A1CASP3
SCHEMBL7376631 0.86 CASP1 (0.49) CASP1ITGB3ITGA2BMMP12MMP1
SCHEMBL7891700 0.83 ALDH1A1 (0.45) CASP1ITGB3ITGA2BALDH1A1
SCHEMBL7417602 0.81 ITGB3 (0.40) CASP1ITGB3ITGA2BALDH1A1CASP3
SCHEMBL7417598 0.81 ITGB3 (0.40) CASP1ITGB3ITGA2BALDH1A1CASP3
SCHEMBL8411016 0.80 ITGB3 (0.51) CASP1ITGB3ITGA2BALDH1A1CASP3
SCHEMBL312343 0.80 ITGB3 (0.51) CASP1ITGB3ITGA2BALDH1A1CASP3
SCHEMBL7382571 0.80 ITGB3 (0.54) ITGB3ITGA2BALDH1A1
SCHEMBL7420894 0.78 ITGB3 (0.52) ITGB3ITGA2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946502-B1 SULFONAMIDE INTERLEUKIN-BETA CONVERTING ENZYME INHIBITORS WARNER LAMBERT CO (US) 2002-12-18 EP claimed
US-20020156094-A1 Sulfonamide interleukin-1beta converting enzyme inhibitors WARNER-LAMBERT COMPANY 2002-10-24 US claimed
US-6316415-B1 INHIBITORS OF INTERLEUKIN-1.BETA. CONVERTING ENZYME THAT HAVE THE TREATMENT OF STROKE, REPERFUSION INJURY, ALZHEIMER'S DISEASE, SHIGELLOSIS, INFLAMMATORY DISEASES, SEPTIC SHOCK AND TO AN INHIBITOR OF INTERLEUKIN-1.BETA. CONVERTING ENZYME. BASF AKTIENGESELLSCHAFT (DE) 2001-11-13 US claimed
EP-0946502-B1 SULFONAMIDE INTERLEUKIN-BETA CONVERTING ENZYME INHIBITORS WARNER LAMBERT CO (US) 2002-12-18 EP disclosed
US-20020156094-A1 Sulfonamide interleukin-1beta converting enzyme inhibitors WARNER-LAMBERT COMPANY 2002-10-24 US disclosed
US-6316415-B1 INHIBITORS OF INTERLEUKIN-1.BETA. CONVERTING ENZYME THAT HAVE THE TREATMENT OF STROKE, REPERFUSION INJURY, ALZHEIMER'S DISEASE, SHIGELLOSIS, INFLAMMATORY DISEASES, SEPTIC SHOCK AND TO AN INHIBITOR OF INTERLEUKIN-1.BETA. CONVERTING ENZYME. BASF AKTIENGESELLSCHAFT (DE) 2001-11-13 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-20020156094-A1 Sulfonamide interleukin-1beta converting enzyme inhibitors IL1A, IL1B, IL1R1 CASP1 11/4885ITGB3 4109/4885ITGA2B 3099/4885

“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.