SCHEMBL6721607

SCHEMBL6721607

CCOC(=O)CN(Cc1ccccc1)C(=O)[C@H](COCc1ccc(OC)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.54
CACNA1B Q00975 2/20 0.50
PPARG P37231 2/20 0.50
CTSS P25774 2/20 0.49
KLK7 P49862 2/20 0.45
KLK5 Q9Y337 2/20 0.45
RAB9A P51151 1/20 0.44
PTPN1 P18031 3/20 0.41
CDC25B P30305 3/20 0.41
PTPN2 P17706 2/20 0.41
CDC25A P30304 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
REN P00797 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41

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
SCHEMBL6721610 1.00 PPARA (0.54) PPARACACNA1BPPARGCTSSKLK7
SCHEMBL4281227 0.90 CTSS (0.46) PPARACACNA1BPPARGCTSSKLK5
SCHEMBL12520690 0.90 CTSS (0.46) PPARACACNA1BPPARGCTSSKLK5
SCHEMBL12520691 0.90 CTSS (0.46) PPARACACNA1BPPARGCTSSKLK5
SCHEMBL5369794 0.86 CACNA1B (0.51) PPARACACNA1BCTSSPTPN1MEN1
SCHEMBL20487177 0.85 PPARA (0.56) PPARAPPARGCTSSKLK7KLK5
SCHEMBL20487176 0.85 PPARA (0.56) PPARAPPARGCTSSKLK7KLK5
SCHEMBL26869285 0.84 CTSS (0.49) PPARAPPARGCTSSCTSLCTSB
SCHEMBL23512578 0.83 KLK7 (0.51) PPARACACNA1BCTSSKLK7KLK5
SCHEMBL29528466 0.83 KLK7 (0.51) PPARACACNA1BCTSSKLK7KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 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-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 PPARA 1672/4885CACNA1B 730/4885PPARG 1396/4885

“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.