SCHEMBL5963752

SCHEMBL5963752

CC(C)(NC(=O)[C@@H](S)C1CCOCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.60
ECE1 P42892 9/20 0.53
ITGB2 P05107 1/20 0.51
ICAM1 P05362 1/20 0.51
ITGAL P20701 1/20 0.51
ALOX15 P16050 1/20 0.50

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
SCHEMBL5963673 0.90 ACE (0.48) ACE
SCHEMBL5964512 0.80 ACE (0.52) ACEECE1ITGB2ICAM1ITGAL
SCHEMBL5964517 0.80 ACE (0.52) ACEECE1ITGB2ICAM1ITGAL
SCHEMBL5963440 0.78 ACE (0.42) ACE
SCHEMBL5253098 0.77 ACE (0.70) ACEECE1ITGB2ICAM1ITGAL
SCHEMBL10174744 0.77 ACE (0.70) ACEECE1ITGB2ICAM1ITGAL
SCHEMBL5253093 0.77 ACE (0.70) ACEECE1ITGB2ICAM1ITGAL
SCHEMBL19951595 0.76 ACE (0.69) ACEECE1ITGB2ICAM1ITGAL
SCHEMBL3362555 0.76 PPARA (0.46) ACE
SCHEMBL8466953 0.76 ACE (0.82) ACEECE1ITGB2ICAM1ITGAL

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1430045-A1 PYRANE DERIVATIVES AS BOTH ACE- AND NEP-INHIBITORS Novartis AG (CH) 2004-06-23 EP 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 4/4885ECE1 1/4885ITGB2 4808/4885
US-20040266698-A1 Pyrane derivatives as both ace-and nep-inhibitors ECE1, AGTR1, ACE ACE 3/4885ECE1 1/4885ITGB2 4736/4885

“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.