SCHEMBL903742

SCHEMBL903742

CC(C)(C)OC(=O)N[C@@H](C[Si](C)(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.48
CTSS P25774 7/20 0.48
PPARA Q07869 6/20 0.46
PPARG P37231 5/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
ACE P12821 1/20 0.45
PPARD Q03181 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 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
SCHEMBL2367381 1.00 CTSK (0.48) CTSKCTSSPPARAPPARGCTSL
SCHEMBL2367189 1.00 CTSK (0.48) CTSKCTSSPPARAPPARGCTSL
SCHEMBL14190234 0.94 CTSS (0.47) CTSKCTSSPPARAPPARGCTSL
SCHEMBL13722720 0.85 CTSS (0.44) CTSKCTSSPPARAPPARGCTSL
SCHEMBL7813096 0.83 CTSK (0.43) CTSKCTSSPPARAPPARGCTSL
SCHEMBL4086808 0.81 CTSS (0.44) CTSKCTSSCTSLCTSBCA1
SCHEMBL47290 0.80 TGFBR1 (0.52) CTSKCTSSPPARAPPARGCTSL
SCHEMBL318796 0.80 CTSK (0.64) CTSKCTSSPPARAPPARGCTSL
SCHEMBL47301 0.80 TGFBR1 (0.52) CTSKCTSSPPARAPPARGCTSL
SCHEMBL1951491 0.80 CTSK (0.64) CTSKCTSSPPARAPPARGCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012040923-A1 TETRACYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
WO-2012040924-A1 FUSED TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
WO-2012041227-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS FOR TREATING HEPATITIS C VIRAL INFECTION MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
US-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 US disclosed
US-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 US disclosed
US-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 US disclosed
EP-2007794-B1 LYSOBACTIN AMIDES AICURIS GMBH & CO KG (DE) 2011-09-14 EP disclosed
EP-2007794-B1 LYSOBACTIN AMIDES AICURIS GMBH & CO KG (DE) 2011-09-14 EP disclosed
US-7727956-B2 Deoxonadepsipeptides AICURIS GMBH & CO. KG (DE) 2010-06-01 US disclosed
US-7727956-B2 Deoxonadepsipeptides AICURIS GMBH & CO. KG (DE) 2010-06-01 US disclosed
US-20080058253-A1 Deoxononadepsipeptides AICURIS GMBH & CO. KG (DE) 2008-03-06 US disclosed
WO-2007118691-A1 LYSOBACTIN AMIDES AICURIS GMBH & CO. KG (DE) 2007-10-25 WO disclosed
WO-2007118691-A1 LYSOBACTIN AMIDES AICURIS GMBH & CO. KG (DE) 2007-10-25 WO disclosed
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 US disclosed
US-20060264358-A1 Acylated nonadepsipeptides II BAYER HEALTHCARE AG (DE) 2006-11-23 US disclosed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP disclosed
EP-1625153-A1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES Bayer HealthCare AG (DE) 2006-02-15 EP disclosed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO disclosed
US-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides BAYER HEALTHCARE AG (DE) 2005-04-07 US disclosed
WO-2004099239-A1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES BAYER HEALTHCARE AG (DE) 2004-11-18 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 (4 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-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides VIP, LNPEP, HAMP CTSK 393/4885CTSS 459/4885PPARA 808/4885
US-20080058253-A1 Deoxononadepsipeptides VIP, DNPEP, NPPA CTSK 454/4885CTSS 1183/4885PPARA 908/4885
US-20060264358-A1 Acylated nonadepsipeptides II VIP, LYPLA2, ENPP2 CTSK 1046/4885CTSS 1723/4885PPARA 500/4885
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors CTSV, CTSB, CTSS CTSK 7/4885CTSS 3/4885PPARA 3808/4885

“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.