SCHEMBL8300035

SCHEMBL8300035

CC(C)Cc1nc([C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C)no1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.65
MMP2 P08253 13/20 0.49
MMP1 P03956 8/20 0.49
MMP9 P14780 7/20 0.49
MMP8 P22894 7/20 0.49
MMP3 P08254 7/20 0.49
ADAM17 P78536 6/20 0.49
MMP7 P09237 5/20 0.49
MMP13 P45452 2/20 0.49
TNF P01375 2/20 0.49
MMP20 O60882 1/20 0.49
ADAMTS4 O75173 1/20 0.49
MMP10 P09238 1/20 0.49
MMP14 P50281 1/20 0.49
MMP15 P51511 1/20 0.49
MMP16 P51512 1/20 0.49
MMP25 Q9NPA2 1/20 0.49
MMP26 Q9NRE1 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49
MMP24 Q9Y5R2 1/20 0.49

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
SCHEMBL12714143 0.92 MMP12 (0.65) MMP12MMP2MMP1MMP9MMP8
SCHEMBL8298144 0.91 MMP12 (0.64) MMP12MMP2MMP1MMP9MMP8
SCHEMBL13502765 0.88 MMP12 (0.61) MMP12MMP2MMP1MMP9MMP8
SCHEMBL12714128 0.87 MMP12 (0.67) MMP12MMP2MMP1MMP9MMP8
SCHEMBL8300018 0.87 MMP12 (0.67) MMP12MMP2MMP1MMP9MMP8
SCHEMBL12714136 0.86 MMP12 (0.59) MMP12MMP2MMP1MMP9MMP8
SCHEMBL8300050 0.86 MMP12 (0.66) MMP12MMP2MMP1MMP9MMP8
SCHEMBL12714148 0.85 MMP12 (0.70) MMP12MMP2MMP1MMP9MMP8
SCHEMBL12714138 0.84 MMP12 (0.63) MMP12MMP2MMP1MMP9MMP8
SCHEMBL12714158 0.83 MMP12 (0.61) MMP12MMP2MMP1MMP9MMP8

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
US-20110086893-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LTD (GB) 2011-04-14 US disclosed
US-20110086893-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LTD (GB) 2011-04-14 US disclosed
US-20100035943-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS (OXFORD) LTD (GB) 2010-02-11 US disclosed
US-20100035943-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS (OXFORD) LTD (GB) 2010-02-11 US disclosed
US-20080227833-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LTD (GB) 2008-09-18 US disclosed
US-20080227833-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LTD (GB) 2008-09-18 US disclosed
US-7358265-B2 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS (R&D) LTD 2008-04-15 US disclosed
US-7358265-B2 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS (R&D) LTD 2008-04-15 US disclosed
EP-1476438-B1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS R&D LTD (GB) 2007-04-18 EP disclosed
WO-2004101537-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LTD (GB) 2004-11-25 WO 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 (3 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-20100035943-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors MMP12, TIMP3, MMP9 MMP12 1/4885MMP2 11/4885MMP1 14/4885
US-20080227833-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS MMP12, TIMP3, MMP9 MMP12 1/4885MMP2 11/4885MMP1 14/4885
US-20110086893-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS MMP12, TIMP3, MMP9 MMP12 1/4885MMP2 11/4885MMP1 14/4885

“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.