SCHEMBL7417602

SCHEMBL7417602

O=C(O)CC(NC(=O)CN1CCc2ccccc2C1=O)C(=O)CNS(=O)(=O)CC12CCC(CC1)C2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.40
ITGA2B P08514 8/20 0.40
CASP1 P29466 9/20 0.39
ALDH1A1 P00352 2/20 0.34
CASP3 P42574 2/20 0.33
CASP9 P55211 2/20 0.33
CASP8 Q14790 2/20 0.33
ITGAV P06756 1/20 0.33

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
SCHEMBL7417598 1.00 ITGB3 (0.40) ITGB3ITGA2BCASP1ALDH1A1CASP3
SCHEMBL7899661 0.86 CASP1 (0.37) CASP1CASP3CASP9CASP8
SCHEMBL7383422 0.84 ITGB3 (0.45) ITGB3ITGA2BCASP1ALDH1A1CASP3
SCHEMBL7376746 0.81 ITGB3 (0.40) ITGB3ITGA2BCASP1ALDH1A1CASP3
SCHEMBL7601197 0.81 CASP1 (0.54) ITGB3ITGA2BCASP1ALDH1A1CASP3
SCHEMBL7382605 0.81 CASP1 (0.54) ITGB3ITGA2BCASP1ALDH1A1CASP3
SCHEMBL7376631 0.81 CASP1 (0.49) ITGB3ITGA2BCASP1ALDH1A1CASP3
SCHEMBL7891700 0.78 ALDH1A1 (0.45) ITGB3ITGA2BCASP1ALDH1A1ITGAV
SCHEMBL312343 0.76 ITGB3 (0.51) ITGB3ITGA2BCASP1ALDH1A1CASP3
SCHEMBL8411016 0.76 ITGB3 (0.51) ITGB3ITGA2BCASP1ALDH1A1CASP3

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 8 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-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
WO-2001019373-A2 METHODS AND COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO 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 ITGB3 4109/4885ITGA2B 3099/4885CASP1 11/4885

“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.