SCHEMBL7145835

SCHEMBL7145835

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.53
ACE P12821 2/20 0.53
ECE1 P42892 2/20 0.53
MAPT P10636 5/20 0.49
ADRB2 P07550 1/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.44
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CA2 P00918 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
SCHEMBL7145843 1.00 MME (0.53) MMEACEECE1MAPTADRB2
SCHEMBL7136798 0.92 MME (0.52) MMEACEECE1MAPTADRB2
SCHEMBL7151523 0.92 MME (0.52) MMEACEECE1MAPTADRB2
SCHEMBL7141703 0.92 MME (0.60) MMEACEECE1MAPTADRB2
SCHEMBL7142252 0.92 MME (0.60) MMEACEECE1MAPTADRB2
SCHEMBL7141707 0.92 MME (0.60) MMEACEECE1MAPTADRB2
SCHEMBL7143275 0.91 MME (0.51) MMEACEECE1MAPTADRB2
SCHEMBL7140576 0.89 ECE1 (0.53) MMEACEECE1MAPTGAA
SCHEMBL7148475 0.89 ECE1 (0.53) MMEACEECE1MAPTGAA
SCHEMBL7144534 0.88 ALDH1A1 (0.45) MMEACEECE1MAPTADRB2

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.