SCHEMBL950663

SCHEMBL950663

Cc1ccc(NC(=O)OCc2ccccc2)c(=O)n1C(C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CASP1 P29466 1/20 0.50
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
CTRC Q99895 5/20 0.46
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOB P27338 1/20 0.44
CASP3 P42574 2/20 0.43

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
SCHEMBL6852036 0.92 ELANE (0.54) ELANENPC1RAB9ACASP1F2
SCHEMBL7703522 0.86 NPC1 (0.52) ELANENPC1RAB9ACASP1F2
SCHEMBL948869 0.86 ELANE (0.56) ELANENPC1RAB9ACASP1CTRC
SCHEMBL7027446 0.85 ELANE (0.55) ELANENPC1RAB9ACASP1F2
SCHEMBL950152 0.85 ELANE (0.57) ELANENPC1RAB9ACASP1CTRC
SCHEMBL949718 0.83 ELANE (0.48) ELANENPC1RAB9ACASP1F2
SCHEMBL8642645 0.82 NPC1 (0.60) ELANENPC1RAB9ACASP1F2
SCHEMBL951246 0.80 CASP1 (0.54) NPC1RAB9ACASP1F2PRSS1
SCHEMBL952097 0.80 NPC1 (0.55) ELANENPC1RAB9ACASP1CTRC
SCHEMBL5753648 0.79 ELANE (0.47) ELANENPC1RAB9ACASP1F2

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.