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SCHEMBL12450528

SCHEMBL12450528

Cc1cccc2nc(C(=O)[C@H](CC(=O)O)NC(=O)[C@@H]3CCc4ncc(NC(=O)CCc5ccccc5)c(=O)n43)oc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 6/20 0.37
▸ BCHE P06276 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ F7 P08709 1/20 0.36
▸ F3 P13726 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ IL1B P01584 3/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CTSS P25774 2/20 0.34
▸ ELANE P08246 1/20 0.34
▸ CMA1 P23946 2/20 0.33

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
SCHEMBL12450525 0.82 CASP3 (0.40) CASP1BCHEF2F7F3
SCHEMBL12450908 0.77 CASP1 (0.54) CASP1BCHEF2F7F3
SCHEMBL12450469 0.77 CASP1 (0.58) CASP1ALDH1A1KDM4EHPGDPOLB
SCHEMBL12450471 0.77 CASP1 (0.58) CASP1IL1BELANE
SCHEMBL12450526 0.76 CASP3 (0.45) CASP1IL1B
SCHEMBL12522496 0.76 CASP3 (0.45) CASP1IL1B
SCHEMBL10200728 0.75 CASP1 (0.48) CASP1IL1BELANE
SCHEMBL13197075 0.75 CASP1 (0.60) CASP1ALDH1A1KDM4EHPGDPOLB
SCHEMBL12450527 0.74 CASP1 (0.47) CASP1BCHEF2F7F3
SCHEMBL12450916 0.73 MEN1 (0.47) BCHEF2F7F3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 — — US disclosed
US-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-20 — — US disclosed
US-7772366-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-10 — — US disclosed
US-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 — — US disclosed
US-7288624-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-30 — — 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-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 CASP1 5/4885BCHE 261/4885F2 1406/4885
US-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 CASP1 5/4885BCHE 261/4885F2 1406/4885
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 CASP1 5/4885BCHE 261/4885F2 1406/4885

“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.