SCHEMBL4897016

SCHEMBL4897016

C[C@@H](NC(=O)C(O)[C@H](CCCCN)N(C(=O)O)C(C)(C)C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 7/20 0.48
MMP9 P14780 2/20 0.48
MMP1 P03956 1/20 0.48
POLB P06746 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP2 P08253 10/20 0.42
BMP1 P13497 1/20 0.40
NPY1R P25929 2/20 0.39
NPY5R Q15761 1/20 0.39
MMP8 P22894 1/20 0.38
CASR P41180 1/20 0.38

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
SCHEMBL4904596 0.85 EPHX2 (0.44) MMP3POLBCTDSP1MEN1KMT2A
SCHEMBL4907951 0.81 MAPT (0.47) MMP9
SCHEMBL4906479 0.79 CTSS (0.45) MMP3MMP9MMP1MEN1KMT2A
SCHEMBL4814646 0.77 POLB (0.50) MMP3MMP9MMP1POLBCTDSP1
SCHEMBL4814666 0.77 POLB (0.50) MMP3MMP9MMP1POLBCTDSP1
SCHEMBL14104859 0.75 CTSK (0.52) MMP3MMP9MMP1POLBCTDSP1
SCHEMBL16964615 0.73 POLB (0.59) MMP9POLBCTDSP1MEN1KMT2A
SCHEMBL26089233 0.72 POLB (0.46) MMP3POLBCTDSP1MEN1KMT2A
SCHEMBL26089237 0.72 POLB (0.46) MMP3POLBCTDSP1MEN1KMT2A
SCHEMBL27518632 0.71 POLB (0.57) MMP3MMP9MMP1POLBCTDSP1

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-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CATALANO JOHN G 2008-03-06 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-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE MMP3 191/4885MMP9 633/4885MMP1 733/4885

“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.