SCHEMBL7135702

SCHEMBL7135702

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

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 9/20 0.69
MME P08473 2/20 0.69
ACE P12821 2/20 0.69
CCR4 P51679 3/20 0.47
AKR1C3 P42330 4/20 0.43
PKM P14618 1/20 0.42
AKR1C1 Q04828 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41

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
SCHEMBL7135704 1.00 ECE1 (0.69) ECE1MMEACECCR4AKR1C3
SCHEMBL7139177 0.91 ECE1 (0.66) ECE1MMEACECCR4AKR1C3
SCHEMBL7146136 0.90 ECE1 (0.64) ECE1MMEACECCR4AKR1C3
SCHEMBL7146140 0.90 ECE1 (0.64) ECE1MMEACECCR4AKR1C3
SCHEMBL7134758 0.89 ECE1 (0.63) ECE1MMEACECCR4AKR1C3
SCHEMBL7135953 0.89 ECE1 (0.63) ECE1MMEACECCR4AKR1C3
SCHEMBL7135937 0.89 ECE1 (0.63) ECE1MMEACECCR4AKR1C3
SCHEMBL7148347 0.89 ECE1 (0.75) ECE1MMEACECCR4AKR1C3
SCHEMBL7138001 0.88 ECE1 (0.64) ECE1MMEACECCR4PKM
SCHEMBL7144503 0.87 ECE1 (0.66) ECE1MMEACECCR4ALDH1A1

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.