SCHEMBL10247735

SCHEMBL10247735

O=C(O)CC(NC(=O)C1CCCN2C(=O)CC[C@H](NC(=O)c3ccccc3)C(=O)N12)C(=O)CSc1nnnn1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.60
IL1B P01584 2/20 0.52
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
TSHR P16473 1/20 0.40
LCK P06239 7/20 0.40
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.38
CASP8 Q14790 1/20 0.38

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
SCHEMBL645894 1.00 CASP1 (0.60) CASP1IL1BALDH1A1HTTMME
SCHEMBL648494 1.00 CASP1 (0.60) CASP1IL1BALDH1A1HTTMME
SCHEMBL647266 0.93 CASP1 (0.50) CASP1IL1BALDH1A1HTTMME
SCHEMBL645645 0.93 CASP1 (0.50) CASP1IL1BALDH1A1HTTMME
SCHEMBL1410049 0.91 CASP1 (0.51) CASP1IL1BALDH1A1HTTMME
SCHEMBL1410017 0.91 CASP1 (0.52) CASP1IL1BALDH1A1HTTTSHR
SCHEMBL647295 0.89 CASP1 (0.46) CASP1IL1BALDH1A1HTTMME
SCHEMBL647722 0.89 CASP1 (0.46) CASP1IL1BALDH1A1HTTMME
SCHEMBL10199559 0.87 CASP1 (0.43) CASP1IL1BALDH1A1HTTTSHR
SCHEMBL10247710 0.85 CASP1 (0.66) 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 4 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-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

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 3/4885ALDH1A1 422/4885

“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.