SCHEMBL12450751

SCHEMBL12450751

C=C1CCC(NC(=O)CCc2ccccc2)C(=O)N2[C@H](C(=O)N[C@H]3CC(=O)OC3OCc3ccccc3)CCCN12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.52
CASP3 P42574 4/20 0.52
CASP8 Q14790 2/20 0.52
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
KLK7 P49862 1/20 0.39
IL1B P01584 1/20 0.36
LCK P06239 1/20 0.36

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
SCHEMBL10252183 1.00 CASP1 (0.52) CASP1CASP3CASP8MMEACE
SCHEMBL10200737 1.00 CASP1 (0.52) CASP1CASP3CASP8MMEACE
SCHEMBL644997 0.93 CASP1 (0.60) CASP1CASP3CASP8MMEACE
SCHEMBL1409707 0.93 CASP1 (0.60) CASP1CASP3CASP8MMEACE
SCHEMBL1414605 0.93 CASP1 (0.60) CASP1CASP3CASP8MMEACE
SCHEMBL10285149 0.92 CASP1 (0.53) CASP1CASP3CASP8MMEACE
SCHEMBL12522494 0.92 CASP1 (0.53) CASP1CASP3CASP8MMEACE
SCHEMBL10262665 0.92 CASP1 (0.53) CASP1CASP3CASP8MMEACE
SCHEMBL4356685 0.89 CASP1 (0.49) CASP1CASP3CASP8MMEACE
SCHEMBL647366 0.89 CASP1 (0.49) CASP1CASP3CASP8MMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 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-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 CASP1 5/4885CASP3 542/4885CASP8 309/4885

“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.