SCHEMBL6800767

SCHEMBL6800767

O=C(COC(=O)c1c(Cl)cccc1Cl)COC(=O)c1c(Cl)cccc1Cl.O=C(O)C[C@H](NC(=O)COC(=O)c1c(Cl)cccc1Cl)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CASP3 P42574 13/20 0.49
CASP6 P55212 12/20 0.49
CASP8 Q14790 12/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
ALDH1A1 P00352 2/20 0.46
THRB P10828 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL7179680 0.96 RECQL (0.55) RECQLSMN1; SMN2CASP3CASP6CASP8
SCHEMBL6801048 0.88 CASP3 (0.52) RECQLSMN1; SMN2CASP3CASP6CASP8
SCHEMBL6799159 0.88 CASP3 (0.50) RECQLSMN1; SMN2CASP3CASP6CASP8
SCHEMBL6281724 0.84 CASP1 (0.59) SMN1; SMN2CASP3CASP6CASP8KMT2A
SCHEMBL6801541 0.84 CASP1 (0.59) SMN1; SMN2CASP3CASP6CASP8KMT2A
SCHEMBL7179607 0.82 CASP3 (0.47) CASP3CASP6CASP8ITGB2ICAM1
SCHEMBL6801811 0.82 ITGAL (0.47) CASP3CASP6CASP8TDP1ITGB2
Aspartic Acid SCHEMBL7370755 0.80 TXNRD1 (0.43) CASP3CASP6CASP8L3MBTL1KMT2A
Aspartic Acid SCHEMBL7370757 0.80 TXNRD1 (0.43) CASP3CASP6CASP8L3MBTL1KMT2A
SCHEMBL6796829 0.79 CASP3 (0.43) RECQLSMN1; SMN2CASP3CASP6CASP8

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 7 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
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 RECQL 3166/4885SMN1; SMN2 3409/4885CASP3 247/4885

“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.