SCHEMBL7144499

SCHEMBL7144499

CN(CC(=O)OCc1ccccc1)C(=O)[C@@H]1C[C@@H](S)CN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 9/20 0.66
MME P08473 2/20 0.66
ACE P12821 2/20 0.66
CCR4 P51679 5/20 0.46
ELANE P08246 1/20 0.41
MMP9 P14780 2/20 0.39
MMP1 P03956 2/20 0.39
ADAM17 P78536 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL7144503 1.00 ECE1 (0.66) ECE1MMEACECCR4ELANE
SCHEMBL7135712 0.89 ECE1 (0.53) ECE1MMEACECCR4ELANE
SCHEMBL7135702 0.87 ECE1 (0.69) ECE1MMEACECCR4KDM4E
SCHEMBL7135704 0.87 ECE1 (0.69) ECE1MMEACECCR4KDM4E
SCHEMBL7134758 0.86 ECE1 (0.63) ECE1MMEACECCR4MMP1
SCHEMBL7135937 0.86 ECE1 (0.63) ECE1MMEACECCR4MMP1
SCHEMBL7135953 0.86 ECE1 (0.63) ECE1MMEACECCR4MMP1
SCHEMBL7139177 0.85 ECE1 (0.66) ECE1MMEACECCR4ALDH1A1
SCHEMBL7142691 0.83 MME (0.49) ECE1MMEACECCR4ELANE
SCHEMBL7142696 0.83 MME (0.49) ECE1MMEACECCR4ELANE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303485-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-6541638-B2 (2S,4S)-1-(4-Mercapto-1-(naphthalene-2-sulfonyl)-pyrrolidine-2 -carbonyl)-piperidine-4-carboxylic acid ethyl ester for example; zinc protease inhibitors; for treating diseases associated with vasoconstriction HOFFMAN-LA ROCHE INC. 2003-04-01 US disclosed
US-20020049243-A1 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. 2002-04-25 US disclosed
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 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-20020049243-A1 Pyrrolidine derivatives PREP, PEPD, DNPEP ECE1 4/4885MME 99/4885ACE 44/4885

“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.