SCHEMBL478382

SCHEMBL478382

CC(C)(C)C(NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.68
CASP4 P49662 1/20 0.67
CASP5 P51878 1/20 0.67
CASP7 P55210 1/20 0.67
CASP9 P55211 1/20 0.67
CASP8 Q14790 1/20 0.67
CASP10 Q92851 1/20 0.67
ELANE P08246 2/20 0.45
TAAR1 Q96RJ0 1/20 0.44
CCR1 P32246 1/20 0.43
STAT6 P42226 6/20 0.43
STAT5A P42229 2/20 0.43
STAT5B P51692 1/20 0.43
ACE P12821 6/20 0.42
ACE2 Q9BYF1 4/20 0.42

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
SCHEMBL3058685 1.00 CASP1 (0.68) CASP1CASP4CASP5CASP7CASP9
SCHEMBL20298320 1.00 CASP1 (0.68) CASP1CASP4CASP5CASP7CASP9
SCHEMBL3699919 1.00 CASP1 (0.68) CASP1CASP4CASP5CASP7CASP9
SCHEMBL12266522 0.92 CASP1 (0.68) CASP1CASP4CASP5CASP7CASP9
SCHEMBL13951168 0.92 CASP1 (0.68) CASP1CASP4CASP5CASP7CASP9
SCHEMBL12266527 0.92 CASP1 (0.68) CASP1CASP4CASP5CASP7CASP9
SCHEMBL30628927 0.90 CASP1 (0.66) CASP1CASP4CASP5CASP7CASP9
SCHEMBL478250 0.89 CASP1 (0.67) CASP1CASP4CASP5CASP7CASP9
SCHEMBL12023624 0.89 CASP1 (0.67) CASP1CASP4CASP5CASP7CASP9
SCHEMBL21539807 0.88 CASP1 (0.63) CASP1CASP4CASP5CASP7CASP9

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210100827-A1 COMBINED ADMINISTRATION OF CYSTEINE-ASPARTIC PROTEASE INHIBITORS WITH P2Y12 RECEPTOR ANTAGONISTS PROTECTS THE HEART AGAINST MYOCARDIAL INFARCTION THE UNIVERSITY OF SOUTH ALABAMA 2021-04-08 US claimed
US-20230372292-A1 TREATMENTS OF CORONAVIRUS INFECTIONS, CYTOKINE RELEASE SYNDROME, CYTOKINE STORM SYNDROME, OR DISEASES ASSOCIATED WITH EXCESSIVE ACTIVATION OF INFLAMMASOMES BY THE USE OF INHIBITORS OF INFLAMMATORY CASPASES IPCURE S.A.S. (FR) 2023-11-23 US disclosed
WO-2023215559-A1 COMPOUNDS, COMPOSITIONS, AND METHODS ARIA PHARMACEUTICALS, INC. (US) 2023-11-09 WO disclosed
US-20230277559-A1 Compositions and Methods for the Treatment of Inflammation in Urological Pathology DUKE UNIVERSITY (US) 2023-09-07 US disclosed
US-20230218726-A1 TREATMENT OF VIRAL CONJUNCTIVITIS OKOGEN, INC. 2023-07-13 US disclosed
EP-3558335-B1 CASPASE-1 INHIBITION AND USES THEREOF FOR PREVENTION AND TREATMENT OF NEUROLOGICAL CONDITIONS CASP AID INC (CA) 2023-04-19 EP disclosed
US-11612615-B2 Combined administration of cysteine-aspartic protease inhibitors with P2Y12 receptor antagonists protects the heart against myocardial infarction THE UNIVERSITY OF SOUTH ALABAMA (US) 2023-03-28 US disclosed
EP-4138882-A1 TREATMENT OF VIRAL CONJUNCTIVITIS Okogen, Inc. (US) 2023-03-01 EP disclosed
US-11559536-B2 Compositions and methods for the treatment of inflammation in urological pathology DUKE UNIVERSITY (US) 2023-01-24 US disclosed
US-20220220480-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF NLRP3 INFLAMMASOME MEDIATED IL-1BETA DEPENDENT DISORDERS INST NAT SANTE RECH MED (FR) 2022-07-14 US disclosed
US-20030232986-A1 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED 2003-12-18 US disclosed
US-20030119899-A1 Process and intermediates for making substituted aspartic acid acetals VERTEX PHARMACEUTICALS INCORPORATED 2003-06-26 US disclosed
US-6531474-B1 Treating inflammatory disease, osteoarthritis, glomerulonephritis, rheumatoid arthritis, psoriasis, graft vs. host disease, sepsis, or septic shock VERTEX PHARMACEUTICALS INCORPORATED 2003-03-11 US disclosed
EP-1286989-A2 PRODRUG OF AN ICE INHIBITOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-03-05 EP disclosed
EP-1278737-A2 PROCESS AND INTERMEDIATES FOR MAKING SUBSTITUTED ASPARTIC ACID ACETALS Vertex Pharmaceuticals Incorporated (US) 2003-01-29 EP disclosed
US-20020013278-A1 Prodrug of an ice inhibitor VERTEX PHARMACEUTICALS INCORPORATED 2002-01-31 US disclosed
WO-2001090063-A2 PRODRUG OF AN ICE INHIBITOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-11-29 WO disclosed
WO-2001081330-A2 PROCESS AND INTERMEDIATES FOR MAKING SUBSTITUTED ASPARTIC ACID ACETALS VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-11-01 WO disclosed
EP-1064298-A2 INHIBITORS OF CASPASES Vertex Pharmaceuticals Incorporated (US) 2001-01-03 EP disclosed
WO-1999047545-A2 INHIBITORS OF CASPASES VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-09-23 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 (5 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-20220220480-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF NLRP3 INFLAMMASOME MEDIATED IL-1BETA DEPENDENT DISORDERS LITAF, APAF1, CASP1 CASP1 3/4885CASP4 328/4885CASP5 80/4885
US-20230372292-A1 TREATMENTS OF CORONAVIRUS INFECTIONS, CYTOKINE RELEASE SYNDROME, CYTOKINE STORM SYNDROME, OR DISEASES ASSOCIATED WITH EXCESSIVE ACTIVATION OF INFLAMMASOMES BY THE USE OF INHIBITORS OF INFLAMMATORY CASPASES CASP1, IL1B, PYCARD CASP1 1/4885CASP4 19/4885CASP5 24/4885
US-20030119899-A1 Process and intermediates for making substituted aspartic acid acetals CASP1, CASP4, CASP2 CASP1 1/4885CASP4 2/4885CASP5 15/4885
US-20020013278-A1 Prodrug of an ice inhibitor CASP1, MCL1, IL1A CASP1 1/4885CASP4 280/4885CASP5 205/4885
US-20030232986-A1 Inhibitors of caspases CASP1, APAF1, IRF3 CASP1 1/4885CASP4 11/4885CASP5 4/4885

“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.