SCHEMBL7142580

SCHEMBL7142580

O=C(CC1CC(S)CN1S(=O)(=O)c1ccc2ccccc2c1)NCc1cc(F)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
ECE1 P42892 9/20 0.44
MME P08473 2/20 0.44
ACE P12821 2/20 0.44
ATM Q13315 1/20 0.41
TRPA1 O75762 5/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7142578 1.00 LMNA (0.45) LMNAHPGDECE1MMEACE
SCHEMBL5412634 0.88 ECE1 (0.50) LMNAHPGDECE1MMEACE
SCHEMBL5407403 0.86 ECE1 (0.44) LMNAHPGDECE1MMEACE
SCHEMBL7144246 0.85 ECE1 (0.48) LMNAECE1MMEACETP53
SCHEMBL7135957 0.85 ECE1 (0.48) LMNAECE1MMEACETP53
SCHEMBL7146973 0.83 ECE1 (0.44) LMNAHPGDECE1MMEACE
SCHEMBL7143073 0.83 ECE1 (0.44) LMNAHPGDECE1MMEACE
SCHEMBL7142537 0.83 LMNA (0.49) LMNAHPGDECE1MMEACE
SCHEMBL7144635 0.83 LMNA (0.49) LMNAHPGDECE1MMEACE
SCHEMBL5413431 0.81 ECE1 (0.46) LMNAHPGDECE1MMEACE

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 LMNA 4821/4885HPGD 149/4885ECE1 4/4885

“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.