SCHEMBL7598767

SCHEMBL7598767

CC(C)C(NC(=O)C(CCC(=O)O)NC(=O)OCc1ccccc1)C(=O)NC(CC(=O)O)C(=O)CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 12/20 0.54
CASP3 P42574 12/20 0.54
CASP7 P55210 9/20 0.54
CASP9 P55211 4/20 0.54
CASP4 P49662 2/20 0.45
CASP10 Q92851 2/20 0.45
CASP5 P51878 1/20 0.44
CASP6 P55212 1/20 0.44
CASP8 Q14790 1/20 0.44

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
SCHEMBL7380260 0.91 CASP1 (0.54) CASP1CASP3CASP7CASP9CASP4
SCHEMBL7383726 0.90 CASP1 (0.56) CASP1CASP3CASP7CASP9CASP6
SCHEMBL7413096 0.89 CASP1 (0.61) CASP1
SCHEMBL7415849 0.89 CASP1 (0.61) CASP1
SCHEMBL7597798 0.85 CASP1 (0.49) CASP1CASP3CASP7CASP9
SCHEMBL7381474 0.83 CASP3 (0.55) CASP1CASP3CASP7CASP9CASP4
SCHEMBL7385207 0.81 CASP1 (0.73) CASP1CASP3CASP7CASP9CASP4
SCHEMBL7419914 0.81 CASP1 (0.56) CASP1
SCHEMBL7599864 0.77 CASP1 (0.62) CASP1
SCHEMBL6159612 0.77 CASP1 (0.58) CASP1

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 11/4885CASP3 674/4885CASP7 512/4885

“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.