SCHEMBL7142245

SCHEMBL7142245

CN(CC(=O)N(C)c1ccc(C(=O)O)cc1)C(=O)C1CC(S)CN1S(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.39
ACE P12821 2/20 0.39
ECE1 P42892 2/20 0.39
RORC P51449 1/20 0.37
KMT2A Q03164 3/20 0.36
HCRTR1 O43613 1/20 0.36
POLQ O75417 4/20 0.36
RAB9A P51151 1/20 0.36
MLYCD O95822 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
SFRP1 Q8N474 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL7142242 1.00 MME (0.39) MMEACEECE1RORCKMT2A
SCHEMBL7149016 0.91 MME (0.46) MMEACEECE1KMT2AHCRTR1
SCHEMBL7149013 0.91 MME (0.46) MMEACEECE1KMT2AHCRTR1
SCHEMBL7150463 0.86 MME (0.43) MMEACEECE1KMT2AHCRTR1
SCHEMBL7150469 0.86 MME (0.43) MMEACEECE1KMT2AHCRTR1
SCHEMBL7145955 0.85 RAB9A (0.38) MMEACEECE1RORCKMT2A
SCHEMBL7143171 0.83 MME (0.46) MMEACEECE1KMT2A
SCHEMBL7148591 0.83 MME (0.46) MMEACEECE1KMT2A
SCHEMBL7137727 0.82 ECE1 (0.43) MMEACEECE1RORCKMT2A
SCHEMBL7144617 0.82 ECE1 (0.43) MMEACEECE1RORCKMT2A

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.