SCHEMBL7382191

SCHEMBL7382191

CC(C)C(C(=O)NC(CC(=O)OC(C)(C)C)C(=O)CBr)N(N=C=O)C(=O)C(CCC(=O)OC(C)(C)C)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.32
AKT1 P31749 1/20 0.32
USP2 O75604 1/20 0.32
CASP3 P42574 4/20 0.31
CASP8 Q14790 3/20 0.31
CASP1 P29466 2/20 0.31
CASP7 P55210 2/20 0.31
CTSK P43235 2/20 0.31
MAPT P10636 1/20 0.30
XBP1 P17861 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 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
SCHEMBL8520531 0.85 CASP1 (0.47) CTSSCASP3CASP8CASP1CTSK
SCHEMBL7381224 0.73 CASP3 (0.53) CASP3CASP8CASP1CASP7CTSK
SCHEMBL4422741 0.72 CASP3 (0.49) CTSSCASP3CASP8CASP1CASP7
SCHEMBL626800 0.72 CASP3 (0.49) CTSSCASP3CASP8CASP1CASP7
SCHEMBL10074125 0.72 CASP3 (0.49) CTSSCASP3CASP8CASP1CASP7
SCHEMBL6158897 0.71 MMP9 (0.45) CASP1CTSKMAPTXBP1NPSR1
SCHEMBL7428604 0.71 MMP9 (0.45) CASP1CTSKMAPTXBP1NPSR1
SCHEMBL7599891 0.70 AKT1 (0.36) CTSSAKT1USP2CASP3CASP8
SCHEMBL17261861 0.70 CTSK (0.52) CTSSCASP1CTSKCTSLCTSB
SCHEMBL79538 0.69 CASP1 (0.54) CTSSCASP1CTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0946502-A1 SULFONAMIDE INTERLEUKIN-BETA CONVERTING ENZYME INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-06 EP disclosed
WO-1998016505-A1 SULFONAMIDE INTERLEUKIN-1β CONVERTING ENZYME INHIBITORS WARNER-LAMBERT COMPANY (US) 1998-04-23 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-20020156094-A1 Sulfonamide interleukin-1beta converting enzyme inhibitors IL1A, IL1B, IL1R1 CTSS 148/4885AKT1 1416/4885USP2 1801/4885

“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.