SCHEMBL10247827

SCHEMBL10247827

COc1cccc(C(=O)NN2CCC(=O)N3CCCC(C(=O)NC(C=O)CC(=O)O)N3C2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 9/20 0.58
IL1B P01584 2/20 0.54
RAB9A P51151 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PREP P48147 1/20 0.37
CTSS P25774 1/20 0.37
NOD1 Q9Y239 1/20 0.36
MCHR1 Q99705 1/20 0.36
TSHR P16473 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
SCHEMBL10199886 1.00 CASP1 (0.58) CASP1IL1BRAB9AMEN1KMT2A
SCHEMBL13139631 0.92 CASP1 (0.61) CASP1IL1BKMT2AALDH1A1
SCHEMBL10199605 0.90 CASP1 (0.71) CASP1IL1B
SCHEMBL10251691 0.89 CASP1 (0.60) CASP1IL1B
SCHEMBL10199903 0.89 CASP1 (0.60) CASP1IL1BRAB9AMEN1KMT2A
SCHEMBL10248187 0.89 CASP1 (0.60) CASP1IL1BRAB9AMEN1KMT2A
SCHEMBL10199794 0.89 CASP1 (0.60) CASP1IL1B
SCHEMBL10199920 0.89 CASP1 (0.57) CASP1IL1BRAB9AALDH1A1TSHR
SCHEMBL10251709 0.89 CASP1 (0.57) CASP1IL1BRAB9AALDH1A1TSHR
SCHEMBL10199659 0.88 CASP1 (0.57) CASP1IL1BTSHR

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 3/4885RAB9A 3220/4885

“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.