SCHEMBL7212233

SCHEMBL7212233

O=C(COC(=O)c1c(Cl)cccc1Cl)COC(=O)c1c(Cl)cccc1Cl.O=C(O)C[C@H](NC(=O)Cn1c(-c2ccc(F)cc2)ncc(NC(=O)OCc2ccccc2)c1=O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ELANE P08246 18/20 0.60
CASP1 P29466 2/20 0.49

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
SCHEMBL27551178 0.90 ELANE (0.71) ELANECASP1
SCHEMBL7205622 0.87 ELANE (0.59) ELANECASP1
SCHEMBL6558258 0.79 ELANE (0.79) ELANE
SCHEMBL6557728 0.78 ELANE (0.70) ELANE
SCHEMBL8064266 0.77 ELANE (0.71) ELANE
SCHEMBL7863330 0.76 ELANE (0.70) ELANECASP1
SCHEMBL8060598 0.76 ELANE (0.70) ELANE
SCHEMBL6801541 0.76 CASP1 (0.59) CASP1
SCHEMBL6281724 0.76 CASP1 (0.59) CASP1
SCHEMBL6558412 0.75 ELANE (0.73) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752987-B1 PYRIMIDINYL DERIVATIVES AS INTERLEUKIN INHIBITORS VERTEX PHARMA (US) 2003-11-12 EP claimed
US-20010003750-A1 N-(pyrimidinyl)-aspartic acid analogs as interleukin-1beta converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2001-06-14 US claimed
US-6162800-A ENZYME INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-12-19 US claimed
EP-0752987-B1 PYRIMIDINYL DERIVATIVES AS INTERLEUKIN INHIBITORS VERTEX PHARMA (US) 2003-11-12 EP disclosed
US-20010003750-A1 N-(pyrimidinyl)-aspartic acid analogs as interleukin-1beta converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2001-06-14 US disclosed
US-6162800-A ENZYME INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-12-19 US disclosed
EP-0752987-A4 PYRIMIDINYL DERIVATIVES AS INTERLEUKIN INHIBITORS SANOFI WINTHROP INC (US) 1997-04-09 EP disclosed
EP-0752987-A1 PYRIMIDINYL DERIVATIVES AS INTERLEUKIN INHIBITORS SANOFI WINTHROP, INC. (US) 1997-01-15 EP disclosed
WO-1995026958-A1 PYRIMIDINYL DERIVATIVES AS INTERLEUKIN INHIBITORS SANOFI WINTHROP, INC. (US) 1995-10-12 WO 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-20010003750-A1 N-(pyrimidinyl)-aspartic acid analogs as interleukin-1beta converting enzyme inhibitors IL1A, IL1B, IL1RN ELANE 74/4885CASP1 11/4885

“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.