SCHEMBL4907951

SCHEMBL4907951

C[C@@H](NC(=O)C(O)C(CCCCNC(=O)OCc1ccccc1)N(C(=O)O)C(C)(C)C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
FOLH1 Q04609 5/20 0.45
CPB1 P15086 1/20 0.45
CPB2 Q96IY4 1/20 0.45
DPP8 Q6V1X1 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
MMP9 P14780 1/20 0.43
HTT P42858 1/20 0.43
ANPEP P15144 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
SCHEMBL4907944 1.00 MAPT (0.47) MAPTFOLH1CPB1CPB2DPP8
SCHEMBL4904596 0.84 EPHX2 (0.44)
SCHEMBL4819898 0.81 FOLH1 (0.49) MAPTFOLH1CPB1CPB2DPP8
SCHEMBL4819908 0.81 FOLH1 (0.49) MAPTFOLH1CPB1CPB2DPP8
SCHEMBL14104857 0.81 MAPT (0.58) MAPTFOLH1
SCHEMBL4897016 0.81 MMP3 (0.48) MMP9
SCHEMBL4906479 0.78 CTSS (0.45) MMP9HTT
SCHEMBL17646421 0.73 FOLH1 (0.56) MAPTFOLH1DPP8DPP7MMP9
SCHEMBL17646347 0.73 FOLH1 (0.56) MAPTFOLH1DPP8DPP7MMP9
SCHEMBL13251388 0.72 HTT (0.65) FOLH1CPB1CPB2DPP8DPP7

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 MAPT 3861/4885FOLH1 1390/4885CPB1 148/4885

“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.