SCHEMBL10247775

SCHEMBL10247775

O=C(O)CC(NC(=O)C1CCCN2C(=O)CCN(NC(=O)c3ccccc3)C(=O)N12)C(=O)COc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 11/20 0.46
IL1B P01584 2/20 0.45
ACE P12821 2/20 0.39
CASP3 P42574 2/20 0.36
ELANE P08246 1/20 0.36
GPR132 Q9UNW8 1/20 0.34
LCK P06239 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
SCHEMBL10199840 1.00 CASP1 (0.46) CASP1IL1BACECASP3ELANE
SCHEMBL646081 0.86 CASP1 (0.63) CASP1IL1BACECASP3LCK
SCHEMBL647340 0.86 CASP1 (0.63) CASP1IL1BACECASP3LCK
SCHEMBL10199721 0.84 CASP1 (0.47) CASP1IL1BACECASP3
SCHEMBL10247793 0.84 CASP1 (0.47) CASP1IL1BACECASP3
SCHEMBL10247762 0.82 CASP1 (0.46) CASP1IL1BACECASP3
SCHEMBL10199406 0.82 CASP1 (0.46) CASP1IL1BACECASP3
SCHEMBL10200461 0.82 CASP1 (0.52) CASP1IL1BACECASP3LCK
SCHEMBL10199689 0.81 CASP1 (0.60) CASP1IL1BACECASP3ELANE
SCHEMBL10248023 0.81 CASP1 (0.60) CASP1IL1BACECASP3ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 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-20110178069-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.