SCHEMBL7144639

SCHEMBL7144639

CCOC(=O)c1ccc(NC(=O)C2CC(S)CN2S(=O)(=O)c2ccccc2C(=O)OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
MAPK1 P28482 2/20 0.48
GAA P10253 6/20 0.46
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 3/20 0.43
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
ECE1 P42892 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL7144642 1.00 MAPT (0.49) MAPTMAPK1GAAALDH1A1SMN1; SMN2
SCHEMBL7139510 0.84 ALDH1A1 (0.59) MAPTMAPK1GAAALDH1A1SMN1; SMN2
SCHEMBL7139515 0.84 ALDH1A1 (0.59) MAPTMAPK1GAAALDH1A1SMN1; SMN2
SCHEMBL7145515 0.83 MAPT (0.58) MAPTMAPK1GAAALDH1A1SMN1; SMN2
SCHEMBL7145520 0.83 MAPT (0.58) MAPTMAPK1GAAALDH1A1SMN1; SMN2
SCHEMBL7142252 0.82 MME (0.60) MAPTMAPK1GAAALDH1A1SMN1; SMN2
SCHEMBL7141703 0.82 MME (0.60) MAPTMAPK1GAAALDH1A1SMN1; SMN2
SCHEMBL7141707 0.82 MME (0.60) MAPTMAPK1GAAALDH1A1SMN1; SMN2
SCHEMBL7142515 0.81 MAPT (0.53) MAPTMAPK1GAAALDH1A1SMN1; SMN2
SCHEMBL7144162 0.81 KMT2A (0.52) MAPTMAPK1GAAALDH1A1SMN1; SMN2

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 2428/4885MAPK1 4292/4885GAA 130/4885

“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.