SCHEMBL10264231

SCHEMBL10264231

O=C(CCc1ccccc1)N[C@H]1CCC(=O)N2CCC[C@@H](C(=O)NC(C(=O)O)C(=O)c3nc4c(CO)cccc4o3)N2C1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 9/20 0.46
MME P08473 2/20 0.43
ACE P12821 2/20 0.43
IL1B P01584 2/20 0.41
CASP3 P42574 2/20 0.41
CASP8 Q14790 2/20 0.41
LCK P06239 9/20 0.41

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
SCHEMBL10200734 0.92 CASP1 (0.48) CASP1MMEACEIL1BCASP3
SCHEMBL13139825 0.83 CASP1 (0.48) CASP1MMEACEIL1BCASP3
SCHEMBL10200728 0.78 CASP1 (0.48) CASP1MMEACEIL1BCASP3
SCHEMBL10263506 0.77 CASP1 (0.48) CASP1MMEACEIL1BCASP3
SCHEMBL645030 0.75 ACE (0.68) CASP1MMEACEIL1BCASP3
SCHEMBL645727 0.75 ACE (0.68) CASP1MMEACEIL1BCASP3
SCHEMBL10200732 0.74 CASP1 (0.47) CASP1MMEACEIL1BCASP3
SCHEMBL647833 0.74 CASP1 (0.77) CASP1MMEACEIL1BLCK
SCHEMBL7250088 0.74 CASP1 (0.77) CASP1MMEACEIL1BLCK
SCHEMBL1078312 0.74 CASP1 (0.77) CASP1MMEACEIL1BLCK

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-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 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-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP1 6/4885MME 279/4885ACE 16/4885

“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.