SCHEMBL7142447

SCHEMBL7142447

CCCCOc1ccc(S(=O)(=O)N2C[C@@H](S)C[C@H]2C(=O)N(C)Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 13/20 0.51
MMP1 P03956 12/20 0.51
MMP7 P09237 12/20 0.49
MMP13 P45452 10/20 0.49
MMP2 P08253 5/20 0.49
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
ECE1 P42892 1/20 0.48
MMP8 P22894 2/20 0.47
CPT2 P23786 1/20 0.45
CPT1A P50416 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 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
SCHEMBL7143331 0.90 MMP1 (0.58) MMP3MMP1MMP7MMP13MMP2
SCHEMBL7138312 0.86 ALDH1A1 (0.48) MMP3MMP1MMP13MMP2MME
SCHEMBL7150454 0.86 ALDH1A1 (0.48) MMP3MMP1MMP13MMP2MME
SCHEMBL7135937 0.84 ECE1 (0.63) MMP3MMP1MMP13MMEACE
SCHEMBL7134758 0.84 ECE1 (0.63) MMP3MMP1MMP13MMEACE
SCHEMBL7137745 0.84 ALDH1A1 (0.47) MMP3MMP1MMP13MMEACE
SCHEMBL7135953 0.84 ECE1 (0.63) MMP3MMP1MMP13MMEACE
SCHEMBL7141588 0.84 ALDH1A1 (0.47) MMP3MMP1MMP13MMEACE
SCHEMBL7141697 0.81 MME (0.49) MMP3MMP1MMP13MMEACE
SCHEMBL7148169 0.81 MME (0.49) MMP3MMP1MMP13MMEACE

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 MMP3 9/4885MMP1 48/4885MMP7 56/4885

“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.