SCHEMBL3820032

SCHEMBL3820032

CC(C)(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](COCc1ccccc1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.76
PPARG P37231 2/20 0.69
CTSS P25774 4/20 0.65
RAB9A P51151 1/20 0.53
CTSL P07711 2/20 0.53
CTSB P07858 2/20 0.53
KLK7 P49862 2/20 0.52
KLK5 Q9Y337 2/20 0.52
MME P08473 1/20 0.52
REN P00797 1/20 0.51
ACE P12821 1/20 0.50
PTPN1 P18031 4/20 0.49
CDC25B P30305 4/20 0.49
PTPN2 P17706 3/20 0.49
CDC25A P30304 2/20 0.49
PTPN6 P29350 1/20 0.49
PTPN11 Q06124 1/20 0.49
CTSK P43235 1/20 0.49
FOLH1 Q04609 1/20 0.49

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
SCHEMBL3825297 0.91 PPARA (0.63) PPARAPPARGCTSSRAB9ACTSL
SCHEMBL17051 0.91 PPARA (0.90) PPARAPPARGCTSSRAB9ACTSL
SCHEMBL1132901 0.91 PPARA (0.90) PPARAPPARGCTSSRAB9ACTSL
SCHEMBL828674 0.91 PPARA (0.90) PPARAPPARGCTSSRAB9ACTSL
SCHEMBL29135753 0.86 PPARA (0.75) PPARAPPARGCTSSRAB9ACTSL
SCHEMBL29556874 0.86 PPARA (0.75) PPARAPPARGCTSSRAB9ACTSL
SCHEMBL20899650 0.86 PPARA (0.82) PPARAPPARGCTSSRAB9ACTSL
SCHEMBL12130757 0.86 PPARA (0.85) PPARAPPARGCTSSRAB9AKLK7
SCHEMBL3817194 0.85 CTSS (0.61) PPARAPPARGCTSSCTSLCTSB
SCHEMBL3820452 0.85 CTSS (0.61) PPARAPPARGCTSSCTSLCTSB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1625153-B1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES AICURIS GMBH & CO KG (DE) 2009-08-26 EP disclosed
US-7368424-B2 Acylated nonadepsipeptides AICURIS GMBH & CO. KG (DE) 2008-05-06 US disclosed
US-7368424-B2 Acylated nonadepsipeptides AICURIS GMBH & CO. KG (DE) 2008-05-06 US disclosed
US-7368424-B2 Acylated nonadepsipeptides AICURIS GMBH & CO. KG (DE) 2008-05-06 US 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

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-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides VIP, LNPEP, HAMP PPARA 808/4885PPARG 2346/4885CTSS 459/4885

“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.