SCHEMBL7141433

SCHEMBL7141433

O=C(O)[C@@H]1C[C@H](S)CN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 9/20 0.62
MME P08473 2/20 0.62
ACE P12821 2/20 0.62
AKR1C3 P42330 4/20 0.54
AKR1C1 Q04828 1/20 0.53
MCL1 Q07820 1/20 0.49
MCOLN3 Q8TDD5 2/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EIF2AK3 Q9NZJ5 1/20 0.46
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 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
SCHEMBL6977959 1.00 ECE1 (0.62) ECE1MMEACEAKR1C3AKR1C1
SCHEMBL7151710 0.89 ECE1 (0.59) ECE1MMEACEAKR1C3AKR1C1
SCHEMBL7136604 0.89 ECE1 (0.59) ECE1MMEACEAKR1C3AKR1C1
SCHEMBL5409880 0.89 ECE1 (0.61) ECE1MMEACEAKR1C3AKR1C1
SCHEMBL7148136 0.89 ECE1 (0.64) ECE1MMEACEAKR1C3AKR1C1
SCHEMBL7148134 0.89 ECE1 (0.64) ECE1MMEACEAKR1C3AKR1C1
SCHEMBL5404147 0.89 ECE1 (0.61) ECE1MMEACEAKR1C3AKR1C1
SCHEMBL7142505 0.87 AKR1C3 (0.55) ECE1MMEACEAKR1C3AKR1C1
SCHEMBL7142511 0.87 AKR1C3 (0.55) ECE1MMEACEAKR1C3AKR1C1
SCHEMBL7143108 0.87 ECE1 (0.53) ECE1MMEACEAKR1C3AKR1C1

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 ECE1 4/4885MME 99/4885ACE 44/4885

“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.