SCHEMBL7221919

SCHEMBL7221919

CC(C)C(S)C(=O)NC1(C(=O)NC(Cc2ccc(-c3ccc(F)cc3)cc2)C(=O)O)CCCC1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 14/20 0.78
MME P08473 3/20 0.59
ACE P12821 3/20 0.59
CPA1 P15085 3/20 0.59
ACE2 Q9BYF1 3/20 0.59

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
SCHEMBL7229963 0.93 ECE1 (0.82) ECE1MMEACECPA1ACE2
SCHEMBL7231500 0.90 ECE1 (0.81) ECE1MMEACECPA1ACE2
SCHEMBL7231814 0.89 ECE1 (0.74) ECE1MMEACECPA1ACE2
SCHEMBL7224002 0.89 ECE1 (0.82) ECE1MMEACECPA1ACE2
SCHEMBL7229225 0.88 ECE1 (0.75) ECE1MMEACECPA1ACE2
SCHEMBL7222465 0.88 ECE1 (1.00) ECE1MMEACECPA1ACE2
SCHEMBL7221667 0.88 ECE1 (0.72) ECE1MMEACECPA1ACE2
SCHEMBL7222029 0.87 ECE1 (1.00) ECE1MMEACECPA1ACE2
SCHEMBL7449823 0.87 ECE1 (0.78) ECE1
SCHEMBL7228239 0.86 ECE1 (0.71) ECE1MMEACECPA1ACE2

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-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
EP-1073674-A1 THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME Novartis AG (CH) 2001-02-07 EP disclosed
WO-1999055726-A1 CERTAIN THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME NOVARTIS AG (CH) 1999-11-04 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 (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 1/4885MME 33/4885ACE 10/4885

“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.