SCHEMBL6911274

SCHEMBL6911274

O=C(COC(=O)c1c(Cl)ccc(OCc2ccccc2)c1Cl)COC(=O)c1c(Cl)ccc(OCc2ccccc2)c1Cl.O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 16/20 0.52
CASP3 P42574 1/20 0.44
MME P08473 1/20 0.42
ECE1 P42892 1/20 0.42
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6801541 0.87 CASP1 (0.59) CASP1CASP3MMEECE1SMN1; SMN2
SCHEMBL6281724 0.87 CASP1 (0.59) CASP1CASP3MMEECE1SMN1; SMN2
SCHEMBL6799453 0.85 CASP1 (0.56) CASP1MMEECE1RECQLSMN1; SMN2
SCHEMBL6798489 0.83 CASP1 (0.47) CASP1CASP3MMEECE1
SCHEMBL6795686 0.80 CASP1 (0.54) CASP1CASP3MMEECE1
SCHEMBL6802721 0.80 CASP3 (0.55) CASP1CASP3MMEECE1SMN1; SMN2
SCHEMBL8510147 0.80 CASP1 (0.51) CASP1CASP3
SCHEMBL6802229 0.79 CASP1 (0.46) CASP1CASP3
SCHEMBL6801504 0.78 CASP1 (0.60) CASP1CASP3MMEECE1
SCHEMBL6800922 0.78 CASP1 (0.43) CASP1CASP3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576614-B1 Administering methyl ketones or closed hemiketal derivatives of aspartic acid VERTEX PHARMACEUTICALS INCORPORATED 2003-06-10 US 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 6/4885CASP3 247/4885MME 109/4885

“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.