SCHEMBL5346396

SCHEMBL5346396

CC(C(=O)NC(C=O)CC(=O)O)n1c(Cc2ccccc2)cc(N)c(C(=O)CCc2ccccc2)c1=O

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 16/20 0.65
IL1B P01584 4/20 0.65
CAPN1 P07384 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
SCHEMBL27473868 0.82 GAA (0.40) CASP1IL1B
SCHEMBL27551611 0.82 CASP1 (0.65) CASP1IL1BCAPN1
SCHEMBL4456720 0.79 CASP1 (1.00) CASP1IL1BCAPN1
SCHEMBL27459599 0.73 CASP1 (0.37) CASP1IL1B
SCHEMBL27551609 0.69 CASP1 (1.00) CASP1IL1B
SCHEMBL12914538 0.69 CASP1 (1.00) CASP1IL1B
SCHEMBL27476202 0.69 GAA (0.40)
SCHEMBL7443313 0.68 CASP1 (0.59) CASP1IL1BCAPN1
SCHEMBL7431065 0.66 CASP1 (0.63) CASP1IL1B
SCHEMBL15444282 0.66 CASP1 (0.52) CASP1IL1BCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288624-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-30 US disclosed
US-20020099042-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2002-07-25 US disclosed
US-6420522-B1 ENZYME INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2002-07-16 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-20020099042-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1RN CASP1 6/4885IL1B 1/4885CAPN1 84/4885

“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.