SCHEMBL7230352

SCHEMBL7230352

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

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.61
ECE1 P42892 7/20 0.57
ALOX15 P16050 1/20 0.52
MME P08473 2/20 0.51
ITGB2 P05107 1/20 0.50
ICAM1 P05362 1/20 0.50
ITGAL P20701 1/20 0.50

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
SCHEMBL7223833 0.90 ECE1 (0.73) ACEECE1ALOX15
SCHEMBL489801 0.90 ECE1 (0.73) ACEECE1ALOX15
SCHEMBL7222010 0.88 ACE (0.63) ACEECE1
SCHEMBL7452590 0.87 MME (0.56) ACEECE1MME
SCHEMBL8360275 0.83 ALOX15 (0.61) ACEECE1ALOX15ITGB2ICAM1
SCHEMBL7707507 0.82 ACE (0.62) ACEECE1ALOX15ITGB2ICAM1
SCHEMBL5964512 0.81 ACE (0.52) ACEECE1ITGB2ICAM1ITGAL
SCHEMBL5964517 0.81 ACE (0.52) ACEECE1ITGB2ICAM1ITGAL
SCHEMBL1853071 0.78 ECE1 (0.49) ACEECE1ALOX15ITGB2ICAM1
SCHEMBL5963727 0.78 ITGB2 (0.48) ACEECE1ALOX15ITGB2ICAM1

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 ACE 10/4885ECE1 1/4885ALOX15 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.