SCHEMBL5963699

SCHEMBL5963699

COc1ccc(C[C@H](NC(=O)C(C)(C)NC(=O)[C@@H](S)C2CCOCC2)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.47
MME P08473 4/20 0.47
ACE2 Q9BYF1 4/20 0.47
CPA1 P15085 3/20 0.47
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
KMT2A Q03164 1/20 0.42
FPR2 P25090 1/20 0.41
MMP1 P03956 3/20 0.41
CA2 P00918 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39

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
SCHEMBL5980987 0.88 ITGB1 (0.40) ACEMMEACE2ITGB1ITGA4
SCHEMBL5963219 0.80 ACE (0.42) ACEMMEACE2CPA1MMP1
SCHEMBL5963440 0.80 ACE (0.42) ACEMMEACE2CPA1MMP1
SCHEMBL5963129 0.80 TACR2 (0.50) ACEMMEACE2CPA1ITGB1
SCHEMBL3362555 0.80 PPARA (0.46) ACEMMEACE2CPA1MMP9
SCHEMBL5963437 0.78 ALDH1A1 (0.38) MMP1MMP3MMP9
SCHEMBL16227804 0.77 PSMB8 (0.52)
SCHEMBL16227803 0.77 PSMB8 (0.52)
SCHEMBL5963752 0.76 ACE (0.60) ACE
SCHEMBL7306740 0.74 FPR2 (0.59) ACEMMEACE2KMT2AFPR2

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 14 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
EP-1540347-A4 DETECTING RECEPTOR OLIGOMERIZATION ACLARA BIOSCIENCES INC (US) 2006-09-20 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
EP-1540347-A2 DETECTING RECEPTOR OLIGOMERIZATION Aclara BioSciences, Inc. (US) 2005-06-15 EP disclosed
US-20040266698-A1 Pyrane derivatives as both ace-and nep-inhibitors FINK CYNTHIA ANNE (US) 2004-12-30 US disclosed
EP-1430045-A1 PYRANE DERIVATIVES AS BOTH ACE- AND NEP-INHIBITORS Novartis AG (CH) 2004-06-23 EP disclosed
WO-2004011900-A2 DETECTING RECEPTOR OLIGOMERIZATION ACLARA BIOSCIENCES, INC. (US) 2004-02-05 WO disclosed
WO-2003027091-A1 PYRANE DERIVATIVES AS BOTH ACE- AND NEP- INHIBITORS NOVARTIS AG (CH) 2003-04-03 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 (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 ACE 4/4885MME 9/4885ACE2 8/4885
US-20040266698-A1 Pyrane derivatives as both ace-and nep-inhibitors ECE1, AGTR1, ACE ACE 3/4885MME 9/4885ACE2 6/4885

“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.