SCHEMBL5964517

SCHEMBL5964517

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

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.52
ECE1 P42892 9/20 0.49
ITGB2 P05107 1/20 0.49
ICAM1 P05362 1/20 0.49
ITGAL P20701 1/20 0.49

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
SCHEMBL5964512 1.00 ACE (0.52) ACEECE1ITGB2ICAM1ITGAL
SCHEMBL5963197 0.90 MAPT (0.47) ACEECE1
SCHEMBL5963727 0.88 ITGB2 (0.48) ACEECE1ITGB2ICAM1ITGAL
SCHEMBL7222010 0.83 ACE (0.63) ACEECE1
SCHEMBL7230352 0.81 ACE (0.61) ACEECE1ITGB2ICAM1ITGAL
SCHEMBL7223833 0.81 ECE1 (0.73) ACEECE1
SCHEMBL489801 0.81 ECE1 (0.73) ACEECE1
SCHEMBL1853071 0.81 ECE1 (0.49) ACEECE1ITGB2ICAM1ITGAL
SCHEMBL7452590 0.81 MME (0.56) ACEECE1
SCHEMBL5963752 0.80 ACE (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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.