SCHEMBL5963437

SCHEMBL5963437

CCOC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C(C)(C)NC(=O)[C@@H](SC(C)=O)C1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MMP1 P03956 7/20 0.36
MMP3 P08254 3/20 0.36
MMP9 P14780 2/20 0.36
MMP12 P39900 2/20 0.36
PSMB2 P49721 3/20 0.35
PSMB10 P40306 3/20 0.35
PSMB8 P28062 3/20 0.35
PSMB5 P28074 1/20 0.35
PSMB9 P28065 2/20 0.34

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
SCHEMBL6828517 0.93 ACACB (0.39)
SCHEMBL5980987 0.91 ITGB1 (0.40) MMP1MMP3MMP9
SCHEMBL5963738 0.83 ACE (0.40)
SCHEMBL5963487 0.82 TACR2 (0.45) MMP1
SCHEMBL3361131 0.81 CTSS (0.41)
SCHEMBL5963699 0.78 ACE (0.47) MMP1MMP3MMP9
SCHEMBL9069939 0.72 TSHR (0.39)
SCHEMBL9069938 0.72 TSHR (0.39)
SCHEMBL5963614 0.71 ACE (0.42)
SCHEMBL14370512 0.69 ACACB (0.54) ALDH1A1

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
EP-1430045-B1 PYRANE DERIVATIVES AS BOTH ACE- AND NEP-INHIBITORS NOVARTIS AG (CH) 2006-10-11 EP claimed
US-7071169-B2 Pyrane derivatives as both ACE-and NEP-inhibitors NOVARTIS AG (CH) 2006-07-04 US claimed
US-20040266698-A1 Pyrane derivatives as both ace-and nep-inhibitors FINK CYNTHIA ANNE (US) 2004-12-30 US claimed
EP-1430045-A1 PYRANE DERIVATIVES AS BOTH ACE- AND NEP-INHIBITORS Novartis AG (CH) 2004-06-23 EP claimed
WO-2003027091-A1 PYRANE DERIVATIVES AS BOTH ACE- AND NEP- INHIBITORS NOVARTIS AG (CH) 2003-04-03 WO claimed
EP-1430045-B1 PYRANE DERIVATIVES AS BOTH ACE- AND NEP-INHIBITORS NOVARTIS AG (CH) 2006-10-11 EP disclosed
US-20060194742-A1 Pyrane derivatives as both ACE- and NEP-inhibitors FINK CYNTHIA A 2006-08-31 US disclosed
US-7071169-B2 Pyrane derivatives as both ACE-and NEP-inhibitors NOVARTIS AG (CH) 2006-07-04 US disclosed
US-20040266698-A1 Pyrane derivatives as both ace-and nep-inhibitors FINK CYNTHIA ANNE (US) 2004-12-30 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-20060194742-A1 Pyrane derivatives as both ACE- and NEP-inhibitors ECE1, ECE2, AGTR1 ALDH1A1 714/4885MMP1 1603/4885MMP3 1285/4885
US-20040266698-A1 Pyrane derivatives as both ace-and nep-inhibitors ECE1, AGTR1, ACE ALDH1A1 141/4885MMP1 769/4885MMP3 1245/4885

“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.