SCHEMBL1609909

SCHEMBL1609909

C=CC[C@H](CCC(C)C)C(=O)N(O)C(=O)N[C@@H](Cc1ccccc1)c1nc(C(C)C)no1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.34
MMP3 P08254 10/20 0.34
MMP7 P09237 9/20 0.34
MMP1 P03956 8/20 0.34
MMP8 P22894 2/20 0.33
ADAM17 P78536 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
CCR5 P51681 1/20 0.32
KCNH2 Q12809 1/20 0.32
CCR1 P32246 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL1612507 0.92 MMP2 (0.34) MMP2MMP3MMP7MMP1MMP8
SCHEMBL1609620 0.90 LMNA (0.42) PPARDPPARA
SCHEMBL12714162 0.74 MMP2 (0.62) MMP2MMP3MMP7MMP1MMP8
SCHEMBL8298960 0.72 MMP2 (0.53) MMP2MMP3MMP7MMP1MMP8
SCHEMBL1608907 0.72 CNR2 (0.35)
SCHEMBL12714163 0.67 MMP2 (0.62) MMP2MMP3MMP7MMP1MMP8
SCHEMBL8299410 0.66 MMP2 (0.53) MMP2MMP3MMP7MMP1MMP8
SCHEMBL12714160 0.64 MMP2 (0.63) MMP2MMP3MMP7MMP1MMP8
SCHEMBL7361762 0.63 HDAC3 (0.52) MMP2MMP3MMP7MMP1MMP8
SCHEMBL8300042 0.63 MMP2 (0.54) MMP2MMP3MMP7MMP1MMP8

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-7358265-B2 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS (R&D) LTD 2008-04-15 US claimed
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-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
EP-1476438-B1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS R&D LTD (GB) 2007-04-18 EP disclosed
US-20050222189-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS (OXFORD) LTD (GB) 2005-10-06 US disclosed
WO-2004101537-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LTD (GB) 2004-11-25 WO disclosed
EP-1476438-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS Vernalis (Oxford) Ltd (GB) 2004-11-17 EP disclosed
WO-2003070711-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LTD (GB) 2003-08-28 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 (4 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-20050222189-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors MMP9, TIMP3, MMP13 MMP2 8/4885MMP3 4/4885MMP7 19/4885
US-20100035943-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors MMP12, TIMP3, MMP9 MMP2 11/4885MMP3 6/4885MMP7 17/4885
US-20080227833-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS MMP12, TIMP3, MMP9 MMP2 11/4885MMP3 6/4885MMP7 17/4885
US-20110086893-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS MMP12, TIMP3, MMP9 MMP2 11/4885MMP3 6/4885MMP7 17/4885

“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.