SCHEMBL10199406

SCHEMBL10199406

O=C(O)C[C@H](NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)c3ccccc3)C(=O)N12)C(=O)COCc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.46
IL1B P01584 2/20 0.41
ACE P12821 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
TACR1 P25103 4/20 0.36
CASP3 P42574 5/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL10247762 1.00 CASP1 (0.46) CASP1IL1BACEACE2TACR1
SCHEMBL10248117 0.89 CASP1 (0.46) CASP1IL1BCASP3
SCHEMBL10199551 0.89 CASP1 (0.46) CASP1IL1BCASP3
SCHEMBL10247686 0.89 CASP1 (0.45) CASP1IL1BCASP3
SCHEMBL10199269 0.89 CASP1 (0.45) CASP1IL1BCASP3
SCHEMBL10199578 0.87 CASP1 (0.44) CASP1IL1BACETACR1CASP3
SCHEMBL646760 0.86 CASP1 (0.64) CASP1IL1BACE
SCHEMBL10199457 0.86 CASP1 (0.64) CASP1IL1BACE
SCHEMBL10199840 0.82 CASP1 (0.46) CASP1IL1BACECASP3
SCHEMBL10247775 0.82 CASP1 (0.46) CASP1IL1BACECASP3

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 2 patents. 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
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 6/4885IL1B 3/4885ACE 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.