SCHEMBL7609962

SCHEMBL7609962

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.47
CTSS P25774 4/20 0.45
SYK P43405 1/20 0.45
KLK5 Q9Y337 2/20 0.44
KLK7 P49862 1/20 0.44
PPARG P37231 2/20 0.44
CASP1 P29466 7/20 0.43
CTSK P43235 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
MAPT P10636 1/20 0.43
ACE P12821 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
SCHEMBL7462719 0.93 PPARA (0.47) PPARACTSSSYKKLK5KLK7
SCHEMBL7607656 0.89 PPARA (0.48) PPARACTSSSYKKLK5KLK7
SCHEMBL7412286 0.87 CTSS (0.50) PPARACTSSSYKKLK5KLK7
SCHEMBL7607583 0.87 PPARA (0.47) PPARACTSSSYKKLK5KLK7
SCHEMBL7956694 0.84 PPARA (0.48) PPARACTSSSYKKLK5KLK7
SCHEMBL7410110 0.84 PPARA (0.48) PPARACTSSSYKKLK5KLK7
SCHEMBL7407723 0.82 PPARA (0.45) PPARACTSSSYKKLK5KLK7
SCHEMBL7406421 0.81 PPARA (0.48) PPARACTSSSYKKLK5KLK7
SCHEMBL5033775 0.81 PPARA (0.58) PPARACTSSSYKKLK5KLK7
SCHEMBL1093029 0.81 PPARA (0.58) PPARACTSSSYKKLK5KLK7

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
US-6495699-B2 ANTIARTHRITIC AGENTS; OSTEOPOROSIS AGOURON PHARMACEUTICALS INC. 2002-12-17 US disclosed
US-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use BENDER STEVEN L (US) 2002-02-14 US disclosed
US-6306892-B1 ENZYME INHIBITORS HETEROCYCLIC AMIDES AGOURON PHARMACEUTICALS, INC. 2001-10-23 US disclosed
US-6174915-B1 FOR TREATING MAMMALIAN DISEASE CONDITION MEDIATED BY METALLOPROTEINASE ACTIVITY AGOURON PHARMACEUTICALS, INC. 2001-01-16 US disclosed
US-6008243-A AN ENZYME INHIBITOR FOR PREVENTING THE DEGRADATION AND REMODELING OF CONNECTIVE TISSUES AGOURON PHARMACEUTICALS, INC. (US) 1999-12-28 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-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use MMP9, MMP2, MMP3 PPARA 4606/4885CTSS 54/4885SYK 4375/4885

“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.