SCHEMBL5494014

SCHEMBL5494014

CC(C)(C)[C@H](NC(=O)[C@@H](CC(=O)NOCc1ccccc1)CC1CCCC1)C(=O)N1CCN(C(=O)Oc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 9/20 0.44
MMP13 P45452 3/20 0.44
MMP2 P08253 10/20 0.43
MMP3 P08254 6/20 0.43
BMP1 P13497 1/20 0.43
CTSS P25774 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
FCER2 P06734 2/20 0.40

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
SCHEMBL5494009 1.00 MMP1 (0.44) MMP1MMP13MMP2MMP3BMP1
SCHEMBL14492875 0.89 MMP2 (0.52) MMP1MMP2MMP3BMP1MMP9
SCHEMBL5488738 0.85 MMP1 (0.43) MMP1MMP13MMP2MMP3BMP1
SCHEMBL5488735 0.85 MMP1 (0.43) MMP1MMP13MMP2MMP3BMP1
SCHEMBL5495841 0.81 MMP1 (0.42) MMP1MMP13MMP2MMP3BMP1
SCHEMBL5495839 0.81 MMP1 (0.42) MMP1MMP13MMP2MMP3BMP1
SCHEMBL3320499 0.81 MMP1 (0.41) MMP1MMP13MMP2MMP3BMP1
SCHEMBL3320496 0.81 MMP1 (0.41) MMP1MMP13MMP2MMP3BMP1
SCHEMBL2796971 0.79 MMP1 (0.40) MMP1MMP13MMP2MMP3BMP1
SCHEMBL2796977 0.79 MMP1 (0.40) MMP1MMP13MMP2MMP3BMP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129310-A1 Antibacterial agents VERNALIS (OXFORD) LTD. (GB) 2007-06-07 US disclosed
US-20070129310-A1 Antibacterial agents VERNALIS (OXFORD) LTD. (GB) 2007-06-07 US disclosed
US-20070129310-A1 Antibacterial agents VERNALIS (OXFORD) LTD. (GB) 2007-06-07 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-20070129310-A1 Antibacterial agents ARG1, SCO2, SPOUT1 MMP1 3562/4885MMP13 3787/4885MMP2 3159/4885

“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.