SCHEMBL4904596

SCHEMBL4904596

CNC(=O)NCCCC[C@@H](C(O)C(=O)N[C@H](C)c1ccccc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.44
CASR P41180 1/20 0.44
POLB P06746 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.40
CTSK P43235 1/20 0.39
BMP1 P13497 4/20 0.39
MMP2 P08253 8/20 0.39
MMP3 P08254 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4897016 0.85 MMP3 (0.48) CASRPOLBCTDSP1BMP1MMP2
SCHEMBL4907951 0.84 MAPT (0.47)
SCHEMBL4906479 0.82 CTSS (0.45) EPHX2CTSKMMP3MEN1KMT2A
SCHEMBL8354345 0.80 EPHX2 (0.50) EPHX2CASRPOLBCTDSP1CTSK
SCHEMBL4817847 0.79 EPHX2 (0.49) EPHX2CASRPOLBCTDSP1CTSK
Hydrochloric Acid SCHEMBL4815550 0.79 EPHX2 (0.49) EPHX2CASRPOLBCTDSP1CTSK
SCHEMBL8354664 0.78 CTSK (0.48) EPHX2CASRPOLBCTDSP1CTSK
SCHEMBL4907652 0.74 CTSK (0.59) EPHX2CASRPOLBCTDSP1CTSK
SCHEMBL6194925 0.70 POLB (0.52) EPHX2CASRPOLBCTDSP1MMP2
SCHEMBL29753182 0.70 EPHX2 (0.80) EPHX2CASRPOLBBMP1MEN1

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 EPHX2 2447/4885CASR 2818/4885POLB 2328/4885

“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.