SCHEMBL7224426

SCHEMBL7224426

O=C(NC1(C(=O)NC(Cc2ccc(-c3ccccc3)cc2)C(=O)O)CCCC1)C(S)Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 11/20 0.68
ACE2 Q9BYF1 10/20 0.68
ACE P12821 9/20 0.68
CPA1 P15085 9/20 0.68
ECE1 P42892 5/20 0.63
ITGB1 P05556 3/20 0.58
ITGA4 P13612 3/20 0.58

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
SCHEMBL7230562 0.92 MME (0.58) MMEACE2ACECPA1ECE1
SCHEMBL7223273 0.91 ECE1 (0.64) MMEACE2ACECPA1ECE1
SCHEMBL7221922 0.91 MME (0.72) MMEACE2ACECPA1ECE1
SCHEMBL7222221 0.88 MME (0.72) MMEACE2ACECPA1ECE1
SCHEMBL7222224 0.88 MME (0.72) MMEACE2ACECPA1ECE1
SCHEMBL6374881 0.87 ECE1 (0.54) MMEACE2ACECPA1ECE1
SCHEMBL7229963 0.87 ECE1 (0.82) MMEACE2ACECPA1ECE1
SCHEMBL7230799 0.87 ECE1 (0.54) MMEACE2ACECPA1ECE1
SCHEMBL6381136 0.83 ECE1 (0.81) MMEACE2ACECPA1ECE1
SCHEMBL7230545 0.82 ECE1 (0.63) MMEACE2ACECPA1ECE1

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 33/4885ACE2 81/4885ACE 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.