SCHEMBL10201452

SCHEMBL10201452

O=C[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](Nc3ccc4c(c3)OCO4)C(=O)N12

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 9/20 0.64
IL1B P01584 2/20 0.60
USP2 O75604 1/20 0.40
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
LCK P06239 3/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
GAA P10253 1/20 0.36
NPY1R P25929 1/20 0.35

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
SCHEMBL2218620 0.88 CASP1 (0.76) CASP1IL1BMMEACEALDH1A1
SCHEMBL645680 0.88 CASP1 (0.76) CASP1IL1BMMEACEALDH1A1
SCHEMBL10200835 0.86 CASP1 (0.78) CASP1IL1BMMEACELCK
SCHEMBL10199498 0.83 CASP1 (0.68) CASP1IL1BMMEACELCK
SCHEMBL10201449 0.83 CASP1 (0.65) CASP1IL1BMMEACELCK
SCHEMBL10200434 0.81 CASP1 (0.66) CASP1IL1BMMEACELCK
SCHEMBL13776537 0.80 CASP1 (0.73) CASP1IL1BMMEACELCK
SCHEMBL10247783 0.79 CASP1 (0.54) CASP1IL1BTSHRITGB1ITGA4
SCHEMBL10199765 0.79 CASP1 (0.54) CASP1IL1BTSHRITGB1ITGA4
SCHEMBL645899 0.78 CASP1 (0.76) CASP1IL1BMMEACELCK

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 9 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
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
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme BATCHELOR MARK J 2008-02-14 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 (3 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 3/4885USP2 1504/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP1 6/4885IL1B 3/4885USP2 1504/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885IL1B 2/4885USP2 1525/4885

“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.