SCHEMBL7135136

SCHEMBL7135136

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

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.70
ACE P12821 2/20 0.70
ECE1 P42892 2/20 0.70
MAPT P10636 9/20 0.47
GAA P10253 2/20 0.47
ADRB2 P07550 1/20 0.47
MAPK1 P28482 3/20 0.46
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA2 P00918 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7143279 1.00 MME (0.70) MMEACEECE1MAPTGAA
SCHEMBL7145879 1.00 MME (0.70) MMEACEECE1MAPTGAA
SCHEMBL7145510 0.93 MME (0.68) MMEACEECE1MAPTTP53
SCHEMBL7134916 0.93 MME (0.68) MMEACEECE1MAPTTP53
SCHEMBL7146031 0.90 ECE1 (0.70) MMEACEECE1MAPTGAA
SCHEMBL7143562 0.90 ECE1 (0.70) MMEACEECE1MAPTGAA
SCHEMBL7148347 0.89 ECE1 (0.75) MMEACEECE1MAPTTP53
SCHEMBL7142252 0.87 MME (0.60) MMEACEECE1MAPTGAA
SCHEMBL7141703 0.87 MME (0.60) MMEACEECE1MAPTGAA
SCHEMBL7141707 0.87 MME (0.60) MMEACEECE1MAPTGAA

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.