SCHEMBL6839896

SCHEMBL6839896

O=C1NC(=O)[C@@](CCCc2ncccn2)(CS(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)N1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 15/20 0.43
MMP12 P39900 2/20 0.43
MMP14 P50281 10/20 0.41
ADAMTS5 Q9UNA0 2/20 0.39
COMT P21964 1/20 0.39
HTR7 P34969 1/20 0.36

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
SCHEMBL942531 1.00 MMP13 (0.43) MMP13MMP12MMP14ADAMTS5COMT
SCHEMBL941134 0.95 MMP13 (0.44) MMP13MMP12MMP14ADAMTS5COMT
SCHEMBL942308 0.84 MMP13 (0.46) MMP13MMP12MMP14ADAMTS5HTR7
SCHEMBL941824 0.82 MMP13 (0.41) MMP13MMP12MMP14ADAMTS5HTR7
SCHEMBL3550561 0.76 ADAMTS5 (0.40) MMP13MMP12ADAMTS5HTR7
SCHEMBL942265 0.76 MMP13 (0.49) MMP13MMP12MMP14
SCHEMBL941012 0.76 MMP13 (0.49) MMP13MMP12MMP14
SCHEMBL940748 0.76 MMP13 (0.48) MMP13MMP12MMP14ADAMTS5
SCHEMBL941841 0.74 MMP13 (0.72) MMP13MMP12MMP14ADAMTS5
SCHEMBL8233841 0.74 MMP13 (0.72) MMP13MMP12MMP14ADAMTS5

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-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 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-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 MMP13 19/4885MMP12 1/4885MMP14 10/4885

“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.