SCHEMBL7224689

SCHEMBL7224689

CC(C)C(S)C(=O)NC1(C(=O)NC(Cc2cccc3c2CCCC3)C(=O)O)CCCC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 15/20 0.60
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP14 P50281 1/20 0.44
ADAM17 P78536 1/20 0.44
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43

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
SCHEMBL7224136 0.85 ECE1 (0.64) ECE1MMEACECPA1ACE2
SCHEMBL7230928 0.82 ECE1 (0.66) ECE1MMEACECPA1ACE2
SCHEMBL7229963 0.80 ECE1 (0.82) ECE1MMEACECPA1ACE2
SCHEMBL6379313 0.80 ECE1 (0.66) ECE1MMEACECPA1ACE2
SCHEMBL7229017 0.79 ECE1 (0.72) ECE1MMEACECPA1ACE2
SCHEMBL7222010 0.78 ACE (0.63) ECE1ACE
SCHEMBL7972539 0.77 ECE1 (0.64) ECE1MMEACECPA1ACE2
SCHEMBL7223319 0.77 ECE1 (0.69) ECE1MMEACECPA1ACE2
SCHEMBL7222166 0.76 ECE1 (0.77) ECE1MMEACECPA1ACE2
SCHEMBL7221919 0.76 ECE1 (0.78) 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 1/4885MMP1 224/4885MMP2 183/4885

“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.