SCHEMBL587794

SCHEMBL587794

CC[C@]1(CS(=O)(=O)N2CCc3cc(-c4cnc(C5CC5)nc4)ncc3C2)NC(=O)NC1=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.32
MMP12 P39900 1/20 0.32
MMP14 P50281 1/20 0.32
MAPK1 P28482 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
ADAM17 P78536 1/20 0.30

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
SCHEMBL5499902 1.00 MMP13 (0.32) MMP13MMP12MMP14MAPK1MAPT
SCHEMBL585311 0.88 MMP13 (0.34) MMP13MMP12MMP14ADAM17
SCHEMBL588084 0.88 MMP13 (0.34) MMP13MMP12MMP14ADAM17
SCHEMBL587143 0.88 MMP13 (0.42) MMP13MMP12MMP14
SCHEMBL5492410 0.88 MMP13 (0.42) MMP13MMP12MMP14
SCHEMBL4782939 0.79 MMP13 (0.43) MMP13MMP12MMP14
SCHEMBL587250 0.79 MMP13 (0.43) MMP13MMP12MMP14
SCHEMBL587505 0.76 MMP13 (0.44) MMP13MMP12MMP14
SCHEMBL5492391 0.76 MMP13 (0.44) MMP13MMP12MMP14
SCHEMBL587491 0.74 ADAMTS5 (0.35) MMP13MMP12MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831199-B1 MMP inhibitors ASTRAZENECA AB (SE) 2012-02-15 EP claimed
US-20100256166-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-07 US claimed
US-7655664-B2 Hydantoin derivatives as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-02 US claimed
EP-1831199-B1 MMP inhibitors ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
US-20100256166-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-07 US disclosed
US-20100256166-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-07 US disclosed
US-7655664-B2 Hydantoin derivatives as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-02 US disclosed
US-7655664-B2 Hydantoin derivatives as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-02 US disclosed
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-11-27 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 (2 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-20100256166-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 MMP13 5/4885MMP12 33/4885MMP14 10/4885
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 MMP13 5/4885MMP12 33/4885MMP14 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.