SCHEMBL10247781

SCHEMBL10247781

O=CC(CC(=O)O)NC(=O)C1CCCN2C(=O)CCN(NC(=O)c3ccccc3CO)C(=O)N12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 12/20 0.59
IL1B P01584 2/20 0.59
F2 P00734 2/20 0.35
PLG P00747 2/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
LCK P06239 2/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CAPN1 P07384 1/20 0.33
GZMB P10144 1/20 0.33
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32

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
SCHEMBL10199692 1.00 CASP1 (0.59) CASP1IL1BF2PLGITGB1
SCHEMBL10247962 0.90 CASP1 (0.59) CASP1IL1BF2PLGLCK
SCHEMBL10199593 0.90 CASP1 (0.59) CASP1IL1BF2PLGLCK
SCHEMBL10199841 0.90 CASP1 (0.59) CASP1IL1BF2PLGITGB1
SCHEMBL10247956 0.90 CASP1 (0.59) CASP1IL1BF2PLGITGB1
SCHEMBL10199848 0.90 CASP1 (0.59) CASP1IL1BF2PLGITGB1
SCHEMBL10251603 0.90 CASP1 (0.59) CASP1IL1BF2PLGITGB1
SCHEMBL10199801 0.90 CASP1 (0.73) CASP1IL1BF2PLGITGB1
SCHEMBL10251701 0.90 CASP1 (0.73) CASP1IL1BF2PLGITGB1
SCHEMBL10199605 0.89 CASP1 (0.71) CASP1IL1BF2PLGITGB1

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-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

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 3/4885F2 1160/4885

“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.