SCHEMBL7140631

SCHEMBL7140631

CCOC(=O)c1cccc(N(C)C(=O)CN(C)C(=O)OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 1/20 0.47
MAPT P10636 7/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 6/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEP1B Q16820 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL7140630 0.81 PKM (0.48) SENP1MAPTALDH1A1HPGDRAB9A
SCHEMBL7134786 0.81 MAPT (0.64) SENP1MAPTALDH1A1HPGDRAB9A
SCHEMBL7140628 0.79 RAB9A (0.52) SENP1MAPTALDH1A1HPGDRAB9A
SCHEMBL7141209 0.78 ALDH1A1 (0.55) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL9155785 0.76 SENP1 (0.53) SENP1MAPTALDH1A1RAB9ANPC1
SCHEMBL7146929 0.76 ALDH1A1 (0.46) MAPTALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL7136756 0.76 ALDH1A1 (0.46) MAPTALDH1A1HPGDSLC6A2SLC6A3
SCHEMBL10106412 0.76 KMT2A (0.52) SENP1MAPTALDH1A1RAB9ANPC1
SCHEMBL29793626 0.76 MAOB (0.55) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL9998357 0.75 ALDH1A1 (0.49) MAPTALDH1A1HPGDSLC6A2SLC6A3

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 SENP1 395/4885MAPT 2428/4885ALDH1A1 767/4885

“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.