SCHEMBL5129595

SCHEMBL5129595

C[C@@H](O)[C@H](NCc1ccc(-c2ccc(CCNC(=O)[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)O)cc2)cc1)C(=O)NO

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.50
CA1 P00915 4/20 0.50
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 5/20 0.42
CTSK P43235 3/20 0.41
CTSS P25774 2/20 0.39
SDCBP O00560 1/20 0.38
SDC2 P34741 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
SCHEMBL2875732 0.89 CA2 (0.49) CA2CA1MMP1MMP3MMP9
SCHEMBL2875736 0.89 CA2 (0.49) CA2CA1MMP1MMP3MMP9
SCHEMBL1912126 0.84 CA2 (0.51) CA2CA1MMP1MMP3MMP9
SCHEMBL10286652 0.80 SDCBP (0.49) CTSKCTSSSDCBPSDC2
SCHEMBL13654766 0.78 CA2 (0.43) CA2CA1MMP1MMP3MMP9
SCHEMBL402017 0.77 CA2 (0.46) CA2CA1CTSKCTSS
SCHEMBL5128800 0.77 HDAC6 (0.42) CA2CA1
SCHEMBL402433 0.76 CA2 (0.40) CA2CA1MMP1MMP3MMP9
SCHEMBL402432 0.76 CA2 (0.40) CA2CA1MMP1MMP3MMP9
SCHEMBL2260206 0.75 CA1 (0.54) CA2CA1

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-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 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-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CA2 3457/4885CA1 4246/4885MMP1 1000/4885

“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.