SCHEMBL12450520

SCHEMBL12450520

CC(=O)C[C@@H](C=O)NC(=O)C(C)N1CCN(Cc2ccccc2)C[C@H](NC(=O)CCc2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 6/20 0.46
▸ IL1B P01584 2/20 0.46
▸ BIRC2 Q13490 1/20 0.39
▸ BIRC8 Q96P09 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CAPN1 P07384 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
SCHEMBL12450522 0.89 CASP1 (0.46) CASP1IL1BBIRC2KMT2A
SCHEMBL12914620 0.83 CASP1 (0.52) CASP1IL1BBIRC2KMT2A
SCHEMBL950190 0.83 CASP1 (0.52) CASP1IL1BBIRC2KMT2A
SCHEMBL950189 0.83 CASP1 (0.52) CASP1IL1BBIRC2KMT2A
SCHEMBL14370033 0.83 CASP1 (0.52) CASP1IL1BBIRC2KMT2A
SCHEMBL14370034 0.81 CASP1 (0.53) CASP1IL1B
SCHEMBL12946457 0.80 CASP1 (0.42) CASP1IL1BBIRC2ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL948891 0.77 CASP1 (0.49) CASP1
Trifluoroacetic Acid SCHEMBL948894 0.77 CASP1 (0.49) CASP1
SCHEMBL12914485 0.75 CASP1 (0.43) CASP1IL1BALDH1A1NPSR1

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 5/4885IL1B 1/4885BIRC2 388/4885
US-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 CASP1 5/4885IL1B 1/4885BIRC2 388/4885
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 CASP1 5/4885IL1B 1/4885BIRC2 388/4885

“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.

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