SCHEMBL6799453

SCHEMBL6799453

O=C(COCc1c(Cl)ccc(OCc2ccccc2)c1Cl)COCc1c(Cl)ccc(OCc2ccccc2)c1Cl.O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 16/20 0.56
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
PPARA Q07869 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
SCHEMBL6797428 0.87 CASP1 (0.65) CASP1MMEECE1PPARA
SCHEMBL6911274 0.85 CASP1 (0.52) CASP1MMEECE1RECQLSMN1; SMN2
SCHEMBL6801504 0.78 CASP1 (0.60) CASP1MMEECE1
SCHEMBL613386 0.77 CASP1 (0.67) CASP1MMEECE1PPARA
SCHEMBL376886 0.77 CASP1 (0.67) CASP1MMEECE1PPARA
SCHEMBL554032 0.77 CASP1 (0.67) CASP1MMEECE1PPARA
SCHEMBL7893591 0.76 CASP1 (0.66) CASP1
SCHEMBL6801541 0.75 CASP1 (0.59) CASP1MMEECE1SMN1; SMN2
SCHEMBL6281724 0.75 CASP1 (0.59) CASP1MMEECE1SMN1; SMN2
SCHEMBL9069236 0.73 CASP1 (0.59) CASP1MMEECE1PPARA

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 3 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

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.