SCHEMBL5048223

SCHEMBL5048223

CC(C)(C)C[C@](N)(NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.44
SYK P43405 1/20 0.44
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.41
CTSS P25774 2/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 1/20 0.41
PPARG P37231 3/20 0.40
CTSK P43235 2/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
ACE P12821 1/20 0.39
MMP8 P22894 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CASP1 P29466 1/20 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
SCHEMBL3826892 0.93 SYK (0.43) PPARASYKKLK7KLK5CTSS
SCHEMBL2775895 0.83 PPARA (0.57) PPARASYKKLK7KLK5CTSS
SCHEMBL478289 0.83 PPARA (0.57) PPARASYKKLK7KLK5CTSS
SCHEMBL1143898 0.83 PPARA (0.57) PPARASYKKLK7KLK5CTSS
Water SCHEMBL29401166 0.82 PPARA (0.56) PPARASYKKLK7KLK5CTSS
Water SCHEMBL2580712 0.82 PPARA (0.56) PPARASYKKLK7KLK5CTSS
SCHEMBL3826896 0.80 CTSS (0.41) PPARASYKCTSSCTSLCTSB
SCHEMBL14037216 0.79 CTSK (0.53) PPARASYKKLK7KLK5CTSS
SCHEMBL14190233 0.78 CTSL (0.62) PPARASYKKLK7KLK5CTSS
SCHEMBL18342569 0.77 CTSK (0.55) PPARASYKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 808/4885SYK 1451/4885KLK7 1838/4885

“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.