SCHEMBL6806571

SCHEMBL6806571

O=C(COc1c(F)cccc1F)COc1c(F)cccc1F.O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 15/20 0.54
MME P08473 1/20 0.52
ECE1 P42892 1/20 0.52
ITGB3 P05106 4/20 0.48
ITGA2B P08514 4/20 0.48

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
SCHEMBL6801504 0.87 CASP1 (0.60) CASP1MMEECE1
SCHEMBL6795686 0.87 CASP1 (0.54) CASP1MMEECE1
SCHEMBL376886 0.83 CASP1 (0.67) CASP1MMEECE1
SCHEMBL613386 0.83 CASP1 (0.67) CASP1MMEECE1
SCHEMBL554032 0.83 CASP1 (0.67) CASP1MMEECE1
SCHEMBL8583048 0.81 ECE1 (0.52) MMEECE1ITGB3ITGA2B
SCHEMBL9069236 0.79 CASP1 (0.59) CASP1MMEECE1
SCHEMBL7179653 0.79 CASP1 (0.49) CASP1MMEECE1
SCHEMBL10605640 0.79 PPARA (0.62) CASP1MMEECE1
SCHEMBL10789378 0.79 MME (0.62) CASP1MMEECE1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040009923-A1 Peptide analogs as irreversible interleukin-1beta protease inhibitors DOLLE ROLAND E (US) 2004-01-15 US claimed
US-5985838-A TREATING INFECTIOUS DISEASE, RESPIRATORY DISEASE, INFLAMMATORY CONDITIONS, IMMUNE-BASED DISEASE, AUTO-IMMUNE DISEASE, BONE DISEASE, AND TUMORS VERTEX PHARMACEUTICALS, INC. (US) 1999-11-16 US claimed
EP-0623592-A1 Peptide analogs as irreversible interleukin-1beta protease inhibitors STERLING WINTHROP INC. (US) 1994-11-09 EP claimed
US-20040009923-A1 Peptide analogs as irreversible interleukin-1beta protease inhibitors DOLLE ROLAND E (US) 2004-01-15 US disclosed
US-6576614-B1 Administering methyl ketones or closed hemiketal derivatives of aspartic acid VERTEX PHARMACEUTICALS INCORPORATED 2003-06-10 US disclosed
EP-0623592-B1 Peptide analogs as irreversible interleukin-1beta protease inhibitors VERTEX PHARMA (US) 2001-06-27 EP disclosed
US-5985838-A TREATING INFECTIOUS DISEASE, RESPIRATORY DISEASE, INFLAMMATORY CONDITIONS, IMMUNE-BASED DISEASE, AUTO-IMMUNE DISEASE, BONE DISEASE, AND TUMORS VERTEX PHARMACEUTICALS, INC. (US) 1999-11-16 US disclosed
EP-0623592-A1 Peptide analogs as irreversible interleukin-1beta protease inhibitors STERLING WINTHROP INC. (US) 1994-11-09 EP 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-20040009923-A1 Peptide analogs as irreversible interleukin-1beta protease inhibitors IL1B, IL1A, IL1RN CASP1 6/4885MME 109/4885ECE1 73/4885

“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.