SCHEMBL7146642

SCHEMBL7146642

O=C(NCCc1ccccc1)[C@@H]1C[C@@H](S)CN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.59
ACE P12821 2/20 0.59
ECE1 P42892 2/20 0.59
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
FKBP1A P62942 5/20 0.50
MMP1 P03956 2/20 0.49
MMP3 P08254 2/20 0.49
MMP7 P09237 2/20 0.49
MMP2 P08253 1/20 0.49
MMP13 P45452 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CCR4 P51679 3/20 0.47
GAA P10253 2/20 0.46
MMP9 P14780 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL7134908 0.89 ECE1 (0.60) MMEACEECE1LMNAHPGD
SCHEMBL7134905 0.89 ECE1 (0.60) MMEACEECE1LMNAHPGD
SCHEMBL7140307 0.89 ECE1 (0.60) MMEACEECE1LMNAHPGD
SCHEMBL7142225 0.87 ECE1 (0.62) MMEACEECE1LMNAHPGD
SCHEMBL7142221 0.87 ECE1 (0.62) MMEACEECE1LMNAHPGD
SCHEMBL7140372 0.85 ECE1 (0.60) MMEACEECE1LMNAHPGD
SCHEMBL7140367 0.85 ECE1 (0.60) MMEACEECE1LMNAHPGD
SCHEMBL5723585 0.84 ECE1 (0.59) MMEACEECE1LMNAHPGD
SCHEMBL7142759 0.83 ALDH1A1 (0.47) MMEACEECE1LMNAHPGD
SCHEMBL7137948 0.83 ALDH1A1 (0.47) MMEACEECE1LMNAHPGD

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 MME 99/4885ACE 44/4885ECE1 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.