SCHEMBL1609669

SCHEMBL1609669

CC(C)CC[C@H](O)C(=O)N(O)C(=O)N[C@H](c1nc(-c2ccccc2)no1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
ACACB O00763 5/20 0.42
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
FFAR1 O14842 1/20 0.38
HTT P42858 1/20 0.38
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL1610092 0.85 TSHR (0.45) TSHRLMNATDP1PPARDPPARA
SCHEMBL1610135 0.83 MMP12 (0.42) TSHRPPARDPPARA
SCHEMBL1611027 0.83 MMP12 (0.42) TSHRPPARDPPARA
SCHEMBL6619964 0.77 TDP1 (0.53) TSHRLMNATDP1PPARDPPARA
SCHEMBL8298145 0.72 MMP12 (0.62) TSHRLMNATDP1PPARDPPARA
SCHEMBL1610078 0.72 TDP1 (0.48) TSHRLMNATDP1PPARDPPARA
SCHEMBL1609631 0.71 BMP1 (0.38) TSHRLMNATDP1PPARDPPARA
SCHEMBL1609620 0.71 LMNA (0.42) TSHRLMNATDP1PPARDPPARA
SCHEMBL8297600 0.70 MMP9 (0.51)
SCHEMBL7373878 0.70 MEN1 (0.46) LMNAALDH1A1

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 TSHR 1581/4885LMNA 2956/4885TDP1 1360/4885
US-20100035943-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors MMP12, TIMP3, MMP9 TSHR 1756/4885LMNA 4112/4885TDP1 2141/4885
US-20080227833-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS MMP12, TIMP3, MMP9 TSHR 1756/4885LMNA 4112/4885TDP1 2141/4885
US-20110086893-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS MMP12, TIMP3, MMP9 TSHR 1756/4885LMNA 4112/4885TDP1 2141/4885

“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.