SCHEMBL4897018

SCHEMBL4897018

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MMP2 P08253 10/20 0.43
MMP3 P08254 6/20 0.43
BMP1 P13497 1/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
CTSK P43235 2/20 0.41
NPY1R P25929 2/20 0.40
NPY5R Q15761 1/20 0.40
MMP9 P14780 1/20 0.39
MMP8 P22894 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
SCHEMBL4904605 0.84 POLB (0.44) POLBCTDSP1MEN1KMT2AMMP2
SCHEMBL4814646 0.83 POLB (0.50) POLBCTDSP1MEN1KMT2AMMP2
SCHEMBL4814666 0.83 POLB (0.50) POLBCTDSP1MEN1KMT2AMMP2
SCHEMBL5639478 0.83 POLB (0.67) POLBCTDSP1MEN1KMT2AMMP2
SCHEMBL4820530 0.83 POLB (0.67) POLBCTDSP1MEN1KMT2AMMP2
SCHEMBL4820525 0.83 POLB (0.67) POLBCTDSP1MEN1KMT2AMMP2
SCHEMBL4897025 0.82 POLB (0.46) POLBCTDSP1MEN1KMT2AMMP2
SCHEMBL4907948 0.79 CYP3A4 (0.45) MEN1KMT2AMMP2MMP3BMP1
SCHEMBL4906490 0.78 CTSS (0.44) POLBMEN1KMT2A
SCHEMBL4817847 0.76 EPHX2 (0.49) POLBCTDSP1MEN1KMT2ABMP1

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 POLB 2328/4885CTDSP1 1496/4885MEN1 4424/4885

“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.