SCHEMBL7142974

SCHEMBL7142974

CCCCOC(=O)N1C[C@H](S)C[C@H]1C(=O)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
OPRM1 P35372 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR1 O14842 1/20 0.38
CTSK P43235 1/20 0.38
ACE P12821 1/20 0.37
ACE2 Q9BYF1 1/20 0.37

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
SCHEMBL7151681 0.81 ECE1 (0.52) ECE1L3MBTL1TDP1ALDH1A1CYP3A4
SCHEMBL7144688 0.78 ECE1 (0.46) ECE1L3MBTL1CYP3A4TSHRMAPK1
SCHEMBL5407269 0.77 ECE1 (0.52) ECE1L3MBTL1SIGMAR1TDP1ALDH1A1
SCHEMBL5410369 0.74 ECE1 (0.43) ECE1ADORA3HTR2AHTR7OPRM1
SCHEMBL9544370 0.72 POLB (0.53) ECE1L3MBTL1SIGMAR1TDP1ALDH1A1
SCHEMBL9544372 0.72 POLB (0.53) ECE1L3MBTL1SIGMAR1TDP1ALDH1A1
SCHEMBL16990199 0.72 TSHR (0.51) ECE1L3MBTL1TDP1ALDH1A1CYP3A4
SCHEMBL23201272 0.71 PPARG (0.46) ECE1L3MBTL1TDP1TSHRMAPK1
SCHEMBL6017192 0.70 TSHR (0.52) ECE1L3MBTL1TDP1ALDH1A1CYP3A4
SCHEMBL8863233 0.70 POLB (0.56) ECE1L3MBTL1SIGMAR1TDP1ALDH1A1

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 7 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 claimed
US-20020049243-A1 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. 2002-04-25 US claimed
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO 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 4/4885L3MBTL1 3514/4885ADORA3 4047/4885

“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.