SCHEMBL1610132

SCHEMBL1610132

CC(C)C[C@@H](C(=O)O)C1OC(C)(C)OC1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
CPA1 P15085 1/20 0.40
ALDH1A1 P00352 6/20 0.34
RNPEP Q9H4A4 1/20 0.32
SLC7A5 Q01650 1/20 0.32
GLS O94925 1/20 0.32
PTPN1 P18031 1/20 0.31
LMNA P02545 2/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL8887738 1.00 L3MBTL1 (0.43) L3MBTL1CPA1ALDH1A1RNPEPSLC7A5
SCHEMBL1609861 1.00 L3MBTL1 (0.43) L3MBTL1CPA1ALDH1A1RNPEPSLC7A5
SCHEMBL2247539 1.00 L3MBTL1 (0.43) L3MBTL1CPA1ALDH1A1RNPEPSLC7A5
SCHEMBL3872212 1.00 L3MBTL1 (0.43) L3MBTL1CPA1ALDH1A1RNPEPSLC7A5
SCHEMBL18401160 0.86 L3MBTL1 (0.34) L3MBTL1ALDH1A1PTPN1
SCHEMBL8777473 0.82 L3MBTL1 (0.36) L3MBTL1
SCHEMBL2247734 0.81
SCHEMBL18686922 0.81 L3MBTL1 (0.38) L3MBTL1GLS
SCHEMBL18686927 0.81 L3MBTL1 (0.38) L3MBTL1GLS
SCHEMBL9280391 0.79 L3MBTL1 (0.33) L3MBTL1CPA1GLSMEN1KMT2A

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 9 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-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 L3MBTL1 3481/4885CPA1 267/4885ALDH1A1 219/4885
US-20100035943-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors MMP12, TIMP3, MMP9 L3MBTL1 3484/4885CPA1 303/4885ALDH1A1 193/4885
US-20080227833-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS MMP12, TIMP3, MMP9 L3MBTL1 3484/4885CPA1 303/4885ALDH1A1 193/4885
US-20110086893-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS MMP12, TIMP3, MMP9 L3MBTL1 3484/4885CPA1 303/4885ALDH1A1 193/4885

“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.