Vrt-18858

Vrt-18858

SCHEMBL647044

O=CC(CC(=O)O)NC(=O)C1CCCN2C(=O)CCC(NC(=O)c3nccc4ccccc34)C(=O)N12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 15/20 1.00
IL1B P01584 2/20 0.69
CASP8 Q14790 3/20 0.64
CASP3 P42574 2/20 0.64
LCK P06239 4/20 0.45
MME P08473 1/20 0.44
ACE P12821 1/20 0.44

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-18858 SCHEMBL646101 1.00 CASP1 (1.00) CASP1IL1BCASP8CASP3LCK
Vrt-18858 SCHEMBL30070800 1.00 CASP1 (1.00) CASP1IL1BCASP8CASP3LCK
SCHEMBL16883405 0.94 CASP1 (0.88) CASP1IL1BCASP8CASP3LCK
SCHEMBL10200428 0.94 CASP1 (0.88) CASP1IL1BCASP8CASP3LCK
SCHEMBL2364341 0.90 CASP1 (0.81) CASP1IL1BCASP8CASP3LCK
SCHEMBL8284807 0.88 CASP1 (0.79) CASP1IL1BCASP8CASP3LCK
SCHEMBL647338 0.88 CASP1 (0.80) CASP1IL1BCASP8CASP3LCK
SCHEMBL1414699 0.88 CASP1 (0.80) CASP1IL1BCASP8CASP3LCK
SCHEMBL10199776 0.88 CASP1 (0.78) CASP1IL1BCASP8CASP3LCK
SCHEMBL10199411 0.87 CASP1 (0.77) CASP1IL1BCASP8CASP3LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9956260-B1 Treatment of HIV-1 infection and AIDS THE J. DAVID GLADSTONE INSTITUTES (US) 2018-05-01 US disclosed
US-9956260-B1 Treatment of HIV-1 infection and AIDS THE J. DAVID GLADSTONE INSTITUTES (US) 2018-05-01 US disclosed
US-9352010-B2 Treatment of HIV-1 infection and AIDS THE J. DAVID GLADSTONE INSTITUTES (US) 2016-05-31 US disclosed
US-9352010-B2 Treatment of HIV-1 infection and AIDS THE J. DAVID GLADSTONE INSTITUTES (US) 2016-05-31 US disclosed
US-20160008420-A1 Treatment Of HIV-1 Infection And AIDS THE J. DAVID GLADSTONE INSTITUTES 2016-01-14 US disclosed
US-20160008420-A1 Treatment Of HIV-1 Infection And AIDS THE J. DAVID GLADSTONE INSTITUTES 2016-01-14 US disclosed
US-20150343011-A1 Treatment Of HIV-1 Infection And AIDS THE J. DAVID GLADSTONE INSTITUTES 2015-12-03 US disclosed
US-20150343011-A1 Treatment Of HIV-1 Infection And AIDS THE J. DAVID GLADSTONE INSTITUTES 2015-12-03 US disclosed
US-20150190404-A1 TREATING SEIZURES USING ICE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2015-07-09 US disclosed
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
EP-2083014-A2 Inhibitors of interleukin-1ß converting enzyme Vertex Pharmceuticals Incorporated (US) 2009-07-29 EP disclosed
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme BATCHELOR MARK J 2008-02-14 US disclosed
WO-2005117846-A2 ICE INHIBITORS FOR THE TREATMENT OF AUTOINFLAMMATORY DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-12-15 WO disclosed
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2005-06-30 US disclosed
WO-2005053665-A1 TREATING INFECTIOUS DISEASES USING ICE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-06-16 WO disclosed
US-20030225269-A1 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2003-12-04 US disclosed
US-6423840-B1 FORMING N-ACYLAMINO COMPOUND VERTEX PHARMACEUTICALS INCORPORATED 2002-07-23 US disclosed
US-5985863-A PHARMACEUTICAL COMPOSITIONS FOR DECREASING THE PRODUCTION OF INTERFERON-GAMMA INDUCING FACTOR (IGIF), AND INTERFERON-GAMMA (IFN-GAMMA) COMPRISING COMPOUND WHICH INHIBITS INTERLEUKIN-1.BETA. CONVERTING ENZYME (ICE) VERTEX PHARMACEUTICALS, INC. (US) 1999-11-16 US disclosed
EP-0869967-A2 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1998-10-14 EP disclosed
WO-1997022619-A2 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-26 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 (7 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-20150343011-A1 Treatment Of HIV-1 Infection And AIDS CD4, CASP1, PYCARD CASP1 2/4885IL1B 30/4885CASP8 7/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP1 6/4885IL1B 3/4885CASP8 131/4885
US-20160008420-A1 Treatment Of HIV-1 Infection And AIDS CD4, CASP1, PYCARD CASP1 2/4885IL1B 30/4885CASP8 7/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885IL1B 2/4885CASP8 115/4885
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885IL1B 2/4885CASP8 123/4885
US-20030225269-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, APAF1, IL1B CASP1 6/4885IL1B 3/4885CASP8 120/4885
US-20150190404-A1 TREATING SEIZURES USING ICE INHIBITORS PSEN2, MAPT, PSEN1 CASP1 46/4885IL1B 2729/4885CASP8 104/4885

“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.