SCHEMBL7143592

SCHEMBL7143592

Cc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1C[C@@H](S)CN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 6/20 0.79
MME P08473 2/20 0.79
ACE P12821 2/20 0.79
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CCR4 P51679 2/20 0.40
AGTR1 P30556 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL7141619 0.90 ECE1 (0.85) ECE1MMEACEHCRTR1HCRTR2
SCHEMBL7148854 0.90 ECE1 (0.85) ECE1MMEACEHCRTR1HCRTR2
SCHEMBL7148347 0.89 ECE1 (0.75) ECE1MMEACEHCRTR1HCRTR2
SCHEMBL7139222 0.89 ECE1 (1.00) ECE1MMEACEALDH1A1HSD17B10
SCHEMBL7150559 0.89 ECE1 (1.00) ECE1MMEACEALDH1A1HSD17B10
SCHEMBL7144267 0.86 ECE1 (0.71) ECE1MMEACEHCRTR1HCRTR2
SCHEMBL7143562 0.85 ECE1 (0.70) ECE1MMEACEHCRTR1HCRTR2
SCHEMBL7146031 0.85 ECE1 (0.70) ECE1MMEACEHCRTR1HCRTR2
SCHEMBL7151704 0.85 ECE1 (0.70) ECE1MMEACEHCRTR1HCRTR2
SCHEMBL7135704 0.85 ECE1 (0.69) ECE1MMEACEHCRTR1HCRTR2

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.