SCHEMBL7408258

SCHEMBL7408258

CC(C)(C)OC(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.54
KLK7 P49862 1/20 0.54
CTSS P25774 4/20 0.52
CTSK P43235 4/20 0.52
CTSL P07711 3/20 0.52
CTSB P07858 1/20 0.52
ATM Q13315 1/20 0.51
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
MMP9 P14780 1/20 0.48
SYK P43405 1/20 0.48
PPARA Q07869 1/20 0.48
ACE P12821 1/20 0.47
REN P00797 3/20 0.47
AKT1 P31749 1/20 0.46

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
SCHEMBL7408256 1.00 KLK5 (0.54) KLK5KLK7CTSSCTSKCTSL
SCHEMBL7403896 0.90 KLK5 (0.52) KLK5KLK7CTSSCTSKCTSL
SCHEMBL7403898 0.90 KLK5 (0.52) KLK5KLK7CTSSCTSKCTSL
SCHEMBL7294995 0.87 CTSS (0.56) KLK5KLK7CTSSCTSKCTSL
SCHEMBL7460511 0.87 KLK7 (0.49) KLK5KLK7CTSSCTSKCTSL
SCHEMBL7460520 0.87 KLK7 (0.49) KLK5KLK7CTSSCTSKCTSL
SCHEMBL13669577 0.87 CTSS (0.67) CTSSCTSKCTSLCTSBATM
SCHEMBL21269701 0.86 KLK5 (0.60) KLK5KLK7CTSSCTSKCTSL
SCHEMBL27487264 0.86 KLK5 (0.60) KLK5KLK7CTSSCTSKCTSL
SCHEMBL30375069 0.86 KLK5 (0.60) KLK5KLK7CTSSCTSKCTSL

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 7 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
EP-0937042-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1999-08-25 EP disclosed
WO-1998017643-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1998-04-30 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-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use MMP9, MMP2, MMP3 KLK5 194/4885KLK7 469/4885CTSS 54/4885

“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.