SCHEMBL7141607

SCHEMBL7141607

COC(=O)c1ccc(N(C)C(=O)CN(C)C(=O)[C@@H]2C[C@@H](SC(C)=O)CN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
ECE1 P42892 1/20 0.39
MMP2 P08253 4/20 0.36
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
HTT P42858 2/20 0.34
ANPEP P15144 1/20 0.34
MMP9 P14780 1/20 0.34
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7141610 1.00 POLB (0.41) POLBMMEACEECE1MMP2
SCHEMBL7137408 0.90 MME (0.39) MMEACEECE1ALDH1A1KMT2A
SCHEMBL7137410 0.90 MME (0.39) MMEACEECE1ALDH1A1KMT2A
SCHEMBL7148903 0.90 MME (0.41) MMEACEECE1MMP2ALDH1A1
SCHEMBL7135094 0.90 MME (0.41) MMEACEECE1MMP2ALDH1A1
SCHEMBL7145223 0.89 MME (0.41) MMEACEECE1MMP2KMT2A
SCHEMBL7145219 0.89 MME (0.41) MMEACEECE1MMP2KMT2A
SCHEMBL7141603 0.87 POLB (0.39) POLBMMEACEECE1MMP2
SCHEMBL7136624 0.82 RAB9A (0.40) POLBMMEACEECE1ALDH1A1
SCHEMBL7136621 0.82 RAB9A (0.40) POLBMMEACEECE1ALDH1A1

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 POLB 1465/4885MME 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.