SCHEMBL7141707

SCHEMBL7141707

CCOC(=O)c1ccc(NC(=O)C2CC(S)CN2S(=O)(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.60
ACE P12821 2/20 0.60
ECE1 P42892 2/20 0.60
MAPT P10636 6/20 0.54
HCRTR1 O43613 1/20 0.50
HCRTR2 O43614 1/20 0.50
MAPK1 P28482 3/20 0.49
GAA P10253 5/20 0.49
ADRB2 P07550 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 2/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 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
SCHEMBL7141703 1.00 MME (0.60) MMEACEECE1MAPTHCRTR1
SCHEMBL7142252 1.00 MME (0.60) MMEACEECE1MAPTHCRTR1
SCHEMBL7145835 0.92 MME (0.53) MMEACEECE1MAPTHCRTR1
SCHEMBL7145843 0.92 MME (0.53) MMEACEECE1MAPTHCRTR1
SCHEMBL7137627 0.92 MME (0.58) MMEACEECE1MAPTHCRTR1
SCHEMBL7137629 0.92 MME (0.58) MMEACEECE1MAPTHCRTR1
SCHEMBL7151523 0.91 MME (0.52) MMEACEECE1MAPTHCRTR1
SCHEMBL7136798 0.91 MME (0.52) MMEACEECE1MAPTHCRTR1
SCHEMBL7143275 0.89 MME (0.51) MMEACEECE1MAPTHCRTR1
SCHEMBL7141742 0.88 ECE1 (0.58) MMEACEECE1MAPTHCRTR1

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 MME 99/4885ACE 44/4885ECE1 4/4885

“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.