SCHEMBL6089700

SCHEMBL6089700

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.47
KLK5 Q9Y337 2/20 0.46
PSEN1 P49768 4/20 0.45
PSEN2 P49810 4/20 0.45
APH1B Q8WW43 4/20 0.45
NCSTN Q92542 4/20 0.45
APH1A Q96BI3 4/20 0.45
PSENEN Q9NZ42 4/20 0.45
CTSS P25774 4/20 0.45
SYK P43405 1/20 0.44
PPARG P37231 2/20 0.43
CTSK P43235 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
MAPT P10636 1/20 0.42
KYNU Q16719 1/20 0.42
KLK7 P49862 1/20 0.42
ACE P12821 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 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
SCHEMBL5639596 0.93 PPARA (0.53) PPARAKLK5CTSSSYKPPARG
SCHEMBL12856084 0.81 ACE (0.54) KLK5CTSLACE
SCHEMBL8560272 0.80 PSEN1 (0.46) PPARAKLK5PSEN1PSEN2APH1B
SCHEMBL8054952 0.80 CTSL (0.41) KLK5CTSLKLK7ALDH1A1
SCHEMBL22469446 0.79 MAPT (0.39) PPARAKLK5PSEN1PSEN2APH1B
SCHEMBL22469444 0.79 MAPT (0.39) PPARAKLK5PSEN1PSEN2APH1B
SCHEMBL22469359 0.79 MAPT (0.39) PPARAKLK5PSEN1PSEN2APH1B
SCHEMBL22469361 0.79 MAPT (0.39) PPARAKLK5PSEN1PSEN2APH1B
SCHEMBL22469357 0.79 MAPT (0.39) PPARAKLK5PSEN1PSEN2APH1B
SCHEMBL25690866 0.79 PPARA (0.39) PPARAKLK5PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138395-B2 Interleukin-1β converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY (US) 2006-11-21 US disclosed
EP-1511749-A1 NOVEL INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-03-09 EP disclosed
US-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY 2004-01-22 US disclosed
WO-2003104231-A1 NOVEL INTERLEUKIN-1β CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2003-12-18 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 (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-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors IL1B, IL1RN, IL1R1 PPARA 4210/4885KLK5 2759/4885PSEN1 2377/4885

“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.