SCHEMBL646970

SCHEMBL646970

CS(=O)(=O)NC1CCC(=O)N2CCCC(C(=O)NC(CC(=O)O)C(O)COC(=O)c3cccc4ccccc34)N2C1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 10/20 0.48
IL1B P01584 2/20 0.47
LCK P06239 8/20 0.42
CASP3 P42574 2/20 0.40
CASP8 Q14790 2/20 0.40
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL1410065 0.92 CASP1 (0.42) CASP1IL1BLCKCASP3CASP8
SCHEMBL645109 0.89 CASP1 (0.46) CASP1IL1BLCKMMEACE
SCHEMBL10247713 0.88 CASP1 (0.49) CASP1IL1BLCKCASP3CASP8
SCHEMBL645085 0.88 CASP1 (0.49) CASP1IL1BLCKCASP3CASP8
SCHEMBL645876 0.88 CASP1 (0.49) CASP1IL1BLCKCASP3CASP8
SCHEMBL647948 0.85 CASP1 (0.48) CASP1IL1BLCKMMEACE
SCHEMBL647164 0.83 CASP1 (0.44) CASP1IL1BLCKMMEACE
SCHEMBL1410171 0.82 CASP1 (0.41) CASP1IL1BLCKMMEACE
SCHEMBL13139580 0.81 CASP1 (0.48) CASP1IL1BLCKCASP3CASP8
SCHEMBL2220412 0.81 CASP1 (0.43) CASP1IL1BLCKCASP3CASP8

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-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-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
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2005-06-30 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-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP1 6/4885IL1B 3/4885LCK 3586/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885IL1B 2/4885LCK 3629/4885
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885IL1B 2/4885LCK 3603/4885

“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.