SCHEMBL7135751

SCHEMBL7135751

CCOC(=O)C1CCN(C(=O)C2CC(S)CN2S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
MEN1 O00255 2/20 0.54
MME P08473 2/20 0.52
ACE P12821 2/20 0.52
ECE1 P42892 2/20 0.52
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PKM P14618 1/20 0.47
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
RECQL P46063 1/20 0.46
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
VCAM1 P19320 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL7142130 1.00 KMT2A (0.68) KMT2AMEN1MMEACEECE1
SCHEMBL7135749 1.00 KMT2A (0.68) KMT2AMEN1MMEACEECE1
SCHEMBL7137964 0.91 KMT2A (0.56) KMT2AMEN1MMEACEECE1
SCHEMBL7137966 0.91 KMT2A (0.56) KMT2AMEN1MMEACEECE1
SCHEMBL7136932 0.89 KMT2A (0.67) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL7138796 0.87 MME (0.58) KMT2AMEN1MMEACEECE1
SCHEMBL7138798 0.87 MME (0.58) KMT2AMEN1MMEACEECE1
SCHEMBL7134936 0.86 KMT2A (0.59) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL7134940 0.86 KMT2A (0.59) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL7168654 0.86 KMT2A (0.64) KMT2AMEN1ALDH1A1HTTKDM4E

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 8 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 claimed
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 claimed
US-20020049243-A1 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. 2002-04-25 US claimed
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO claimed
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 KMT2A 1971/4885MEN1 2985/4885MME 99/4885

“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.