SCHEMBL7135286

SCHEMBL7135286

CCNC(=O)N1CC(S)CC1C(=O)CNCC(=O)Nc1ccccc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
ALDH1A1 P00352 8/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 2/20 0.45
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
ECE1 P42892 1/20 0.44
HSD17B10 Q99714 7/20 0.42
TSHR P16473 2/20 0.42
MAPK10 P53779 1/20 0.42
KDM4E B2RXH2 7/20 0.42
NPSR1 Q6W5P4 3/20 0.41
MEN1 O00255 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
HPGD P15428 2/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AHR P35869 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL7140017 0.84 MME (0.54) GAAALDH1A1HTTKMT2AMME
SCHEMBL7135289 0.84 MME (0.61) GAAALDH1A1HTTKMT2AMME
SCHEMBL7143405 0.84 MME (0.61) GAAALDH1A1HTTKMT2AMME
SCHEMBL7148525 0.81 MME (0.53) ALDH1A1HTTKMT2AMMEACE
SCHEMBL7150551 0.75 ECE1 (0.75) GAAALDH1A1HTTKMT2AMME
SCHEMBL7140020 0.69 MME (0.71) GAAALDH1A1KMT2AMMEACE
SCHEMBL7140028 0.69 MME (0.71) GAAALDH1A1KMT2AMMEACE
SCHEMBL12756997 0.67 KMT2A (0.64) GAAALDH1A1HTTKMT2AHSD17B10
SCHEMBL7144822 0.67 MME (0.75) GAAALDH1A1KMT2AMMEACE
SCHEMBL7148539 0.67 MME (0.75) GAAALDH1A1KMT2AMMEACE

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 767/4885HTT 2147/4885

“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.