Vrt 043198

Vrt 043198

SCHEMBL3470537

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

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.81
CASP4 P49662 2/20 0.81
CASP5 P51878 2/20 0.81
CASP7 P55210 2/20 0.81
CASP9 P55211 2/20 0.81
CASP8 Q14790 2/20 0.81
CASP10 Q92851 2/20 0.81
ELANE P08246 2/20 0.44
TAAR1 Q96RJ0 1/20 0.43
IL1B P01584 2/20 0.41
CASP3 P42574 1/20 0.40
CASP2 P42575 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
STAT6 P42226 4/20 0.38
F2 P00734 3/20 0.38
F10 P00742 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38

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
Vrt 043198 SCHEMBL20099210 1.00 CASP1 (0.81) CASP1CASP4CASP5CASP7CASP9
Vrt 043198 SCHEMBL13928446 1.00 CASP1 (0.81) CASP1CASP4CASP5CASP7CASP9
Vrt 043198 SCHEMBL8279029 1.00 CASP1 (0.81) CASP1CASP4CASP5CASP7CASP9
Vrt 043198 SCHEMBL30278640 1.00 CASP1 (0.81) CASP1CASP4CASP5CASP7CASP9
Vrt 043198 SCHEMBL17969594 1.00 CASP1 (0.81) CASP1CASP4CASP5CASP7CASP9
Vrt 043198 SCHEMBL20298437 1.00 CASP1 (0.81) CASP1CASP4CASP5CASP7CASP9
SCHEMBL16883406 0.94 CASP1 (0.71) CASP1CASP4CASP5CASP7CASP9
SCHEMBL13742740 0.94 CASP1 (0.71) CASP1CASP4CASP5CASP7CASP9
SCHEMBL3469978 0.90 CASP1 (0.66) CASP1CASP4CASP5CASP7CASP9
SCHEMBL15459247 0.90 CASP1 (1.00) 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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11946053-B2 Methods for overcoming glucocorticoid resistance and for determining glucocorticoid resistance potential in cancer ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2024-04-02 US disclosed
US-20230364054-A1 METHODS FOR TREATING COVID-19 MEDSTAR HEALTH, INC. 2023-11-16 US disclosed
US-20230364054-A1 METHODS FOR TREATING COVID-19 MEDSTAR HEALTH, INC. 2023-11-16 US disclosed
US-11654132-B2 Methods for treating COVID-19 MEDSTAR HEALTH, INC. (US) 2023-05-23 US disclosed
US-11654132-B2 Methods for treating COVID-19 MEDSTAR HEALTH, INC. (US) 2023-05-23 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-20220395488-A1 METHODS FOR TREATING COVID-19 MEDSTAR HEALTH, INC. 2022-12-15 US disclosed
US-20220054454-A1 CASPASE-1 INHIBITION AND USES THEREOF FOR PREVENTION AND TREATMENT OF NEUROLOGICAL CONDITIONS CASP-AID INC. (CA) 2022-02-24 US disclosed
US-11160788-B2 Caspase-1 inhibition and uses thereof for prevention and treatment of neurological conditions Leblanc, Andrea 2021-11-02 US disclosed
US-20200102565-A1 METHODS FOR OVERCOMING GLUCOCORTICOID RESISTANCE AND FOR DETERMINING GLUCOCORTICOID RESISTANCE POTENTIAL IN CANCER ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2020-04-02 US disclosed
US-7417029-B2 Prodrug of an ice inhibitor VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-08-26 US disclosed
US-7417029-B2 Prodrug of an ice inhibitor VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-08-26 US disclosed
US-7358273-B2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-15 US disclosed
US-7358273-B2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-15 US disclosed
WO-2005117846-A2 ICE INHIBITORS FOR THE TREATMENT OF AUTOINFLAMMATORY DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-12-15 WO disclosed
WO-2005053665-A1 TREATING INFECTIOUS DISEASES USING ICE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-06-16 WO disclosed
US-20030232986-A1 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED 2003-12-18 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-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 (6 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-20220395488-A1 METHODS FOR TREATING COVID-19 CASP1, IL1B, PYCARD CASP1 1/4885CASP4 13/4885CASP5 31/4885
US-20220054454-A1 CASPASE-1 INHIBITION AND USES THEREOF FOR PREVENTION AND TREATMENT OF NEUROLOGICAL CONDITIONS CASP1, CASP5, CASP10 CASP1 1/4885CASP4 7/4885CASP5 2/4885
US-20230364054-A1 METHODS FOR TREATING COVID-19 CASP1, IL1B, PYCARD CASP1 1/4885CASP4 13/4885CASP5 31/4885
US-11160788-B2 Caspase-1 inhibition and uses thereof for prevention and treatment of neurological conditions CASP1, CASP5, CASP10 CASP1 1/4885CASP4 7/4885CASP5 2/4885
US-20030232986-A1 Inhibitors of caspases CASP1, APAF1, IRF3 CASP1 1/4885CASP4 11/4885CASP5 4/4885
US-11654132-B2 Methods for treating COVID-19 CASP1, IL1B, PYCARD CASP1 1/4885CASP4 13/4885CASP5 31/4885

“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.