SCHEMBL7208083

SCHEMBL7208083

O=C[C@H](CC(=O)O)NC(=O)Cn1c(-c2cccs2)ncc(NC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 17/20 0.68
CASP1 P29466 3/20 0.49
IL1B P01584 1/20 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
SCHEMBL7210360 0.94 ELANE (0.66) ELANE
SCHEMBL7863330 0.89 ELANE (0.70) ELANECASP1
SCHEMBL6556446 0.86 ELANE (0.69) ELANE
SCHEMBL6557614 0.82 ELANE (0.62) ELANE
SCHEMBL6556086 0.81 ELANE (0.80) ELANE
SCHEMBL6558297 0.81 ELANE (0.73) ELANE
SCHEMBL9584587 0.81 ELANE (0.79) ELANE
SCHEMBL9584142 0.81 ELANE (1.00) ELANE
SCHEMBL7205622 0.80 ELANE (0.59) ELANECASP1
SCHEMBL8762836 0.79 ELANE (0.75) 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-A4 PYRIMIDINYL DERIVATIVES AS INTERLEUKIN INHIBITORS SANOFI WINTHROP INC (US) 1997-04-09 EP claimed
EP-0752987-A1 PYRIMIDINYL DERIVATIVES AS INTERLEUKIN INHIBITORS SANOFI WINTHROP, INC. (US) 1997-01-15 EP claimed
WO-1995026958-A1 PYRIMIDINYL DERIVATIVES AS INTERLEUKIN INHIBITORS SANOFI WINTHROP, INC. (US) 1995-10-12 WO claimed
EP-0752987-B1 PYRIMIDINYL DERIVATIVES AS INTERLEUKIN INHIBITORS VERTEX PHARMA (US) 2003-11-12 EP disclosed
US-6407080-B2 USED AS RESEARCH TOOLS IN PHARMACOLOGICAL, DIAGNOSTIC STUDIES AND TREATMENT OF DISEASES IN MAMMALS IN WHICH 1L-BETA-PROTEASE ACTIVITY IS IMPLICATED; ANTIINFLAMMATORY AGENT VERTEX PHARMACEUTICALS INCORPORATED 2002-06-18 US disclosed
US-6162800-A ENZYME INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-12-19 US 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 11/4885IL1B 2/4885

“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.