SCHEMBL948869

SCHEMBL948869

CC(C(=O)O)n1c(Cc2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.56
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CTRC Q99895 6/20 0.49
CASP1 P29466 2/20 0.48
IL1B P01584 1/20 0.48
MAOB P27338 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2801908 0.92 ELANE (0.55) ELANENPC1RAB9ACTRCCASP1
SCHEMBL950152 0.90 ELANE (0.57) ELANENPC1RAB9ACTRCCASP1
SCHEMBL948946 0.89 CASP1 (0.52) ELANENPC1RAB9ACTRCCASP1
SCHEMBL949718 0.87 ELANE (0.48) ELANENPC1RAB9ACTRCCASP1
SCHEMBL950663 0.86 ELANE (0.55) ELANENPC1RAB9ACTRCCASP1
SCHEMBL8641705 0.82 ELANE (0.56) ELANENPC1RAB9ACTRCCASP1
SCHEMBL949978 0.81 CASP1 (0.69) NPC1RAB9ACASP1IL1BHTT
SCHEMBL949353 0.79 CASP1 (0.62) NPC1RAB9ACASP1IL1B
SCHEMBL6852036 0.79 ELANE (0.54) ELANENPC1RAB9ACTRCCASP1
SCHEMBL952097 0.78 NPC1 (0.55) ELANENPC1RAB9ACTRCCASP1

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-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-20 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-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 ELANE 140/4885NPC1 655/4885RAB9A 2305/4885

“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.