SCHEMBL7597798

SCHEMBL7597798

CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.49
BACE1 P56817 3/20 0.44
BACE2 Q9Y5Z0 3/20 0.44
CASP3 P42574 3/20 0.44
CASP9 P55211 2/20 0.44
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
CASP7 P55210 2/20 0.40
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA5A P35218 4/20 0.39
CA5B Q9Y2D0 4/20 0.39
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
OPRD1 P41143 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
ACE P12821 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
SCHEMBL7598767 0.85 CASP1 (0.54) CASP1CASP3CASP9CASP7
SCHEMBL7383726 0.85 CASP1 (0.56) CASP1CASP3CASP9MMP1MMP2
SCHEMBL7419914 0.85 CASP1 (0.56) CASP1MMP1MMP2MMP9MMP8
SCHEMBL7381468 0.83 CASP1 (0.45) CASP1BACE1BACE2CASP3CASP9
SCHEMBL7382640 0.79 BACE1 (0.55) CASP1BACE1BACE2CASP3CASP9
SCHEMBL7380260 0.77 CASP1 (0.54) CASP1CASP3CASP9MMP1MMP2
SCHEMBL6157518 0.76 CASP1 (0.69) CASP1MMP1MMP2MMP9MMP8
SCHEMBL6159614 0.74 CASP1 (0.66) CASP1MMP1MMP2MMP9MMP8
SCHEMBL6158160 0.74 CASP1 (0.63) CASP1MMP1MMP2MMP9MMP8
SCHEMBL7413672 0.73 CASP1 (0.50) CASP1CA1CA2CA5ACA5B

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 5 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
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 11/4885BACE1 4/4885BACE2 22/4885

“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.