SCHEMBL5963727

SCHEMBL5963727

CC(=O)S[C@H](C(=O)NC1(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)CCCC1)C1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.48
ICAM1 P05362 2/20 0.48
ITGAL P20701 2/20 0.48
ECE1 P42892 8/20 0.48
ALOX15 P16050 1/20 0.47
ACE P12821 3/20 0.47
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.44

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
SCHEMBL5963481 0.91 MAPT (0.45) ECE1ACEKMT2A
SCHEMBL5964512 0.88 ACE (0.52) ITGB2ICAM1ITGALECE1ACE
SCHEMBL5964517 0.88 ACE (0.52) ITGB2ICAM1ITGALECE1ACE
SCHEMBL5963197 0.80 MAPT (0.47) ECE1ACEKMT2A
SCHEMBL1853071 0.79 ECE1 (0.49) ITGB2ICAM1ITGALECE1ALOX15
SCHEMBL7230352 0.78 ACE (0.61) ITGB2ICAM1ITGALECE1ALOX15
SCHEMBL7222010 0.78 ACE (0.63) ECE1ACE
SCHEMBL8360275 0.77 ALOX15 (0.61) ITGB2ICAM1ITGALECE1ALOX15
SCHEMBL7223833 0.77 ECE1 (0.73) ECE1ALOX15ACE
SCHEMBL489801 0.77 ECE1 (0.73) ECE1ALOX15ACE

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 6 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 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
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 ITGB2 4808/4885ICAM1 1670/4885ITGAL 4827/4885
US-20040266698-A1 Pyrane derivatives as both ace-and nep-inhibitors ECE1, AGTR1, ACE ITGB2 4736/4885ICAM1 710/4885ITGAL 4716/4885

“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.