SCHEMBL7222224

SCHEMBL7222224

CCCC[C@@H](S)C(=O)NC1(C(=O)NC(Cc2ccc(-c3ccccc3)cc2)C(=O)O)CCCC1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.72
ACE P12821 9/20 0.72
CPA1 P15085 9/20 0.72
ACE2 Q9BYF1 9/20 0.72
ECE1 P42892 10/20 0.68
ITGB1 P05556 1/20 0.57
ITGA4 P13612 1/20 0.57

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
SCHEMBL7222221 1.00 MME (0.72) MMEACECPA1ACE2ECE1
SCHEMBL7224426 0.88 MME (0.68) MMEACECPA1ACE2ECE1
SCHEMBL7229963 0.84 ECE1 (0.82) MMEACECPA1ACE2ECE1
SCHEMBL7221217 0.82 ECE1 (0.62) MMEACECPA1ACE2ECE1
SCHEMBL7221922 0.82 MME (0.72) MMEACECPA1ACE2ECE1
SCHEMBL6379782 0.81 ECE1 (1.00) MMEACECPA1ACE2ECE1
SCHEMBL7230562 0.81 MME (0.58) MMEACECPA1ACE2ECE1
SCHEMBL6375726 0.81 ECE1 (0.77) MMEACECPA1ACE2ECE1
SCHEMBL7223273 0.80 ECE1 (0.64) MMEACECPA1ACE2ECE1
SCHEMBL7230545 0.79 ECE1 (0.63) MMEACECPA1ACE2ECE1

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 MME 33/4885ACE 10/4885CPA1 57/4885

“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.