SCHEMBL7144497

SCHEMBL7144497

CCOC(=O)C1CCN(C(=O)C2CC(S)CN2S(=O)(=O)Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.62
PKM P14618 1/20 0.62
ALDH1A1 P00352 5/20 0.58
HSD17B10 Q99714 3/20 0.58
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 4/20 0.50
TSHR P16473 3/20 0.50
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7144500 1.00 NPSR1 (0.62) NPSR1PKMALDH1A1HSD17B10KMT2A
SCHEMBL7137873 0.81 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL7137875 0.81 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL7142130 0.81 KMT2A (0.68) PKMALDH1A1KMT2AMEN1KDM4E
SCHEMBL7143335 0.81 NR1D1 (0.53) NPSR1ALDH1A1HSD17B10KMT2AMEN1
SCHEMBL7143338 0.81 NR1D1 (0.53) NPSR1ALDH1A1HSD17B10KMT2AMEN1
SCHEMBL7135751 0.81 KMT2A (0.68) PKMALDH1A1KMT2AMEN1KDM4E
SCHEMBL7135749 0.81 KMT2A (0.68) PKMALDH1A1KMT2AMEN1KDM4E
SCHEMBL7143192 0.81 MAPT (0.52) NPSR1PKMALDH1A1HSD17B10KMT2A
SCHEMBL7143194 0.81 MAPT (0.52) NPSR1PKMALDH1A1HSD17B10KMT2A

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 NPSR1 979/4885PKM 1208/4885ALDH1A1 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.