SCHEMBL7142910

SCHEMBL7142910

CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H](S)CN2S(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
GAA P10253 3/20 0.62
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPK1 P28482 2/20 0.50
RAB9A P51151 4/20 0.47
NAMPT P43490 1/20 0.47
LMNA P02545 1/20 0.46
NPC1 O15118 2/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MITF O75030 1/20 0.45
TP53 P04637 1/20 0.45
TLR9 Q9NR96 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL7143653 1.00 MAPT (0.62) MAPTGAAALDH1A1SMN1; SMN2MAPK1
SCHEMBL7148170 0.88 MAPT (0.53) MAPTGAAALDH1A1SMN1; SMN2MAPK1
SCHEMBL7141907 0.87 MAPT (0.52) MAPTGAAALDH1A1SMN1; SMN2MAPK1
SCHEMBL7148177 0.87 MAPT (0.52) MAPTGAAALDH1A1SMN1; SMN2MAPK1
SCHEMBL7149872 0.85 ALDH1A1 (0.52) MAPTGAAALDH1A1SMN1; SMN2MAPK1
SCHEMBL7149870 0.85 ALDH1A1 (0.52) MAPTGAAALDH1A1SMN1; SMN2MAPK1
SCHEMBL7145515 0.84 MAPT (0.58) MAPTGAAALDH1A1SMN1; SMN2MAPK1
SCHEMBL7145520 0.84 MAPT (0.58) MAPTGAAALDH1A1SMN1; SMN2MAPK1
SCHEMBL7144642 0.81 MAPT (0.49) MAPTGAAALDH1A1SMN1; SMN2MAPK1
SCHEMBL7144639 0.81 MAPT (0.49) MAPTGAAALDH1A1SMN1; SMN2MAPK1

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 MAPT 2428/4885GAA 130/4885ALDH1A1 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.