SCHEMBL7136756

SCHEMBL7136756

CN(CC(=O)N(C)c1ccc(CO)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
PRSS1 P07477 1/20 0.43
TPSAB1 Q15661 1/20 0.43
ALOX5 P09917 1/20 0.39
ENPP2 Q13822 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
CACNA1H O95180 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ABCB1 P08183 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL7146929 0.90 ALDH1A1 (0.46) ALDH1A1MAPTHPGDPRSS1TPSAB1
SCHEMBL7141209 0.84 ALDH1A1 (0.55) ALDH1A1MAPTHPGDKMT2AMAPK1
SCHEMBL7135707 0.83 ALDH1A1 (0.40) ALDH1A1MAPTHPGDPRSS1TPSAB1
SCHEMBL7135709 0.79 MLYCD (0.39) ALDH1A1MAPTHPGDPRSS1TPSAB1
SCHEMBL7136752 0.79 PRSS1 (0.71) ALDH1A1MAPTHPGDPRSS1TPSAB1
SCHEMBL21069881 0.78 ALDH1A1 (0.49) ALDH1A1MAPTHPGDPRSS1TPSAB1
SCHEMBL21070425 0.78 ALDH1A1 (0.49) ALDH1A1MAPTHPGDPRSS1TPSAB1
SCHEMBL316882 0.77 ALDH1A1 (0.55) ALDH1A1MAPTHPGDPRSS1TPSAB1
SCHEMBL2197305 0.77 ALDH1A1 (0.47) ALDH1A1MAPTHPGDPRSS1TPSAB1
SCHEMBL7140631 0.76 SENP1 (0.47) ALDH1A1MAPTHPGDKMT2AMAPK1

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 ALDH1A1 767/4885MAPT 2428/4885HPGD 149/4885

“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.