SCHEMBL7141121

SCHEMBL7141121

COC(=O)c1ccc(NCC(=O)CN(C)C(=O)C2CC(S)CN2S(=O)(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 7/20 0.66
MME P08473 2/20 0.66
ACE P12821 2/20 0.66
PLAU P00749 2/20 0.42
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
CCR4 P51679 3/20 0.37
TSHR P16473 2/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
ADRB2 P07550 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL7140418 0.90 MME (0.53) ECE1MMEACEPOLBSMN1; SMN2
SCHEMBL7140421 0.90 MME (0.53) ECE1MMEACEPOLBSMN1; SMN2
SCHEMBL7138936 0.88 ECE1 (0.80) ECE1MMEACESMN1; SMN2LMNA
SCHEMBL7148574 0.87 ECE1 (0.56) ECE1MMEACEPLAUPOLB
SCHEMBL7146115 0.87 ECE1 (0.53) ECE1MMEACEPLAUPOLB
SCHEMBL7146637 0.86 MME (0.49) ECE1MMEACESMN1; SMN2MAPT
SCHEMBL7141558 0.86 ECE1 (0.58) ECE1MMEACEPOLBSMN1; SMN2
SCHEMBL7141127 0.86 ECE1 (0.68) ECE1MMEACEPLAUPOLB
SCHEMBL7141132 0.86 ECE1 (0.68) ECE1MMEACEPLAUPOLB
SCHEMBL7143751 0.83 MME (0.47) ECE1MMEACELMNAALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020049243-A1 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. 2002-04-25 US claimed
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.