SCHEMBL7142499

SCHEMBL7142499

CN(CC(=O)Nc1ccc(C(=O)O)cc1)C(=O)C1CC(S)CN1S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
ECE1 P42892 1/20 0.47
HSD17B10 Q99714 1/20 0.44
FABP1 P07148 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TSHR P16473 1/20 0.43
MAPT P10636 5/20 0.43
HTT P42858 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MPI P34949 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HCRTR1 O43613 1/20 0.43

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
SCHEMBL7150611 1.00 GAA (0.49) GAAALDH1A1POLBMMEACE
SCHEMBL7149084 0.90 POLB (0.52) GAAALDH1A1POLBMMEACE
SCHEMBL7139216 0.90 POLB (0.52) GAAALDH1A1POLBMMEACE
SCHEMBL7145466 0.87 FABP1 (0.43) GAAALDH1A1POLBMMEACE
SCHEMBL7145467 0.87 FABP1 (0.43) GAAALDH1A1POLBMMEACE
SCHEMBL7150544 0.82 ALDH1A1 (0.47) GAAALDH1A1POLBMMEACE
SCHEMBL7146031 0.81 ECE1 (0.70) GAAALDH1A1POLBMMEACE
SCHEMBL7143562 0.81 ECE1 (0.70) GAAALDH1A1POLBMMEACE
SCHEMBL7145369 0.80 MME (0.46) GAAALDH1A1POLBMMEACE
SCHEMBL7145372 0.80 MME (0.46) GAAALDH1A1POLBMMEACE

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 GAA 130/4885ALDH1A1 767/4885POLB 1465/4885

“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.