SCHEMBL7141834

SCHEMBL7141834

CN(CC(=O)N(C)c1ccc(C(=O)O)cc1)C(=O)C1CC(S)CN1S(=O)(=O)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
ECE1 P42892 1/20 0.39
ALDH1A1 P00352 4/20 0.35
POLB P06746 2/20 0.35
PKM P14618 2/20 0.35
HTT P42858 1/20 0.34
KMT2A Q03164 2/20 0.33

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
SCHEMBL7141832 1.00 LMNA (0.42) LMNAMMEACEECE1ALDH1A1
SCHEMBL7138070 0.91 MME (0.46) LMNAMMEACEECE1ALDH1A1
SCHEMBL7138073 0.91 MME (0.46) LMNAMMEACEECE1ALDH1A1
SCHEMBL7149181 0.85 LMNA (0.39) LMNAALDH1A1POLBPKMHTT
SCHEMBL7143171 0.83 MME (0.46) MMEACEECE1KMT2A
SCHEMBL7148591 0.83 MME (0.46) MMEACEECE1KMT2A
SCHEMBL7144617 0.82 ECE1 (0.43) MMEACEECE1ALDH1A1HTT
SCHEMBL7137727 0.82 ECE1 (0.43) MMEACEECE1ALDH1A1HTT
SCHEMBL7139389 0.82 MME (0.39) LMNAMMEACEECE1ALDH1A1
SCHEMBL7139393 0.82 MME (0.39) LMNAMMEACEECE1ALDH1A1

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 LMNA 4821/4885MME 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.