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) —
SCHEMBL11674845 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.

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