SCHEMBL7223833

SCHEMBL7223833

CC(C)CC(S)C(=O)NC1(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)CCCC1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 13/20 0.73
ACE P12821 3/20 0.61
ALOX15 P16050 1/20 0.52

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
SCHEMBL489801 1.00 ECE1 (0.73) ECE1ACEALOX15
SCHEMBL7230352 0.90 ACE (0.61) ECE1ACEALOX15
SCHEMBL7222010 0.89 ACE (0.63) ECE1ACE
SCHEMBL7452590 0.87 MME (0.56) ECE1ACE
SCHEMBL7707507 0.84 ACE (0.62) ECE1ACEALOX15
SCHEMBL8360275 0.83 ALOX15 (0.61) ECE1ACEALOX15
SCHEMBL7224961 0.82 ECE1 (0.61) ECE1ACE
SCHEMBL5964512 0.81 ACE (0.52) ECE1ACE
SCHEMBL5964517 0.81 ACE (0.52) ECE1ACE
SCHEMBL7975953 0.81 ECE1 (0.53) ECE1ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613782-B2 For treating and/or preventing endothelin dependent conditions, e.g. cardio- and cerebro-vascular disorders such as hypertension, vasoconstriction, congestive heart failure, cerebral disorders, respiratory system disorders NOVARTIS AG (CH) 2003-09-02 US disclosed
US-6423727-B1 Certain thiol inhibitors of endothelin-converting enzyme NOVARTIS AG (CH) 2002-07-23 US disclosed
US-20020082218-A1 Certain thiol inhibitors of endothelin-converting enzyme LOMBAERT STEPHANE DE (US) 2002-06-27 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-20020082218-A1 Certain thiol inhibitors of endothelin-converting enzyme ECE1, ECE2, EDNRB ECE1 1/4885ACE 10/4885ALOX15 343/4885

“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.