SCHEMBL12450870

SCHEMBL12450870

CCC(=O)CNC(=O)Cn1c(Cc2ccccc2)ccc(NC(=O)CCc2ccccc2)c1=O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.61
IL1B P01584 3/20 0.61
F2 P00734 1/20 0.50
PRSS1 P07477 1/20 0.50
ELANE P08246 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 3/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CNR2 P34972 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL10200776 0.84 CASP1 (0.66) CASP1IL1BF2PRSS1ELANE
SCHEMBL646080 0.84 CASP1 (0.71) CASP1IL1BF2PRSS1ELANE
SCHEMBL12450671 0.84 CASP1 (0.68) CASP1IL1BF2PRSS1ELANE
SCHEMBL12450458 0.80 CASP1 (0.71) CASP1IL1BELANE
SCHEMBL14399361 0.80 CASP1 (0.83) CASP1IL1BF2PRSS1ELANE
SCHEMBL12522497 0.79 CASP1 (0.55) CASP1IL1BF2PRSS1ELANE
SCHEMBL949241 0.78 CASP1 (0.63) CASP1IL1BELANESMN1; SMN2GAA
SCHEMBL12450848 0.77 CASP1 (0.51) CASP1IL1BF2PRSS1ELANE
SCHEMBL8641733 0.77 CASP1 (0.56) CASP1IL1BSMN1; SMN2POLBGAA
SCHEMBL12450464 0.76 CASP1 (0.86) CASP1IL1BF2PRSS1ELANE

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 1 patent. 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

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-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 CASP1 5/4885IL1B 1/4885F2 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.