SCHEMBL7406802

SCHEMBL7406802

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.54
KLK5 Q9Y337 1/20 0.54
PPARA Q07869 3/20 0.51
MMP9 P14780 3/20 0.48
MMP3 P08254 3/20 0.48
MMP1 P03956 2/20 0.48
MMP8 P22894 1/20 0.48
CTSS P25774 4/20 0.48
MMP2 P08253 4/20 0.48
CTSK P43235 3/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
MMP14 P50281 1/20 0.46
PPARG P37231 2/20 0.46
SYK P43405 1/20 0.46
PSMB5 P28074 1/20 0.46
CACNA1B Q00975 2/20 0.44

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
SCHEMBL7410104 1.00 KLK7 (0.54) KLK7KLK5PPARAMMP9MMP3
SCHEMBL8432281 0.91 KLK5 (0.59) KLK7KLK5PPARAMMP9CTSS
SCHEMBL7403678 0.88 MMP2 (0.54) KLK7KLK5PPARAMMP9MMP3
SCHEMBL7403675 0.88 MMP2 (0.54) KLK7KLK5PPARAMMP9MMP3
SCHEMBL8430460 0.88 KLK7 (0.54) KLK7KLK5PPARAMMP9MMP1
SCHEMBL7607252 0.86 MMP3 (0.51) MMP9MMP3MMP1MMP8CTSS
SCHEMBL7411860 0.86 MMP3 (0.51) MMP9MMP3MMP1MMP8CTSS
SCHEMBL7609826 0.85 PPARA (0.51) KLK7KLK5PPARAMMP9MMP3
SCHEMBL7609822 0.85 PPARA (0.51) KLK7KLK5PPARAMMP9MMP3
SCHEMBL7609952 0.84 KLK7 (0.55) KLK7KLK5PPARAMMP9CTSS

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 KLK7 469/4885KLK5 194/4885PPARA 4606/4885

“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.