SCHEMBL7142691

SCHEMBL7142691

COc1ccc(CS[C@@H]2C[C@@H](C(=O)N(C)CC(=O)OCc3ccccc3)N(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.49
ACE P12821 2/20 0.49
ECE1 P42892 2/20 0.49
MMP1 P03956 11/20 0.42
MMP3 P08254 9/20 0.42
MMP13 P45452 8/20 0.42
MMP9 P14780 6/20 0.42
MMP7 P09237 5/20 0.42
CCR4 P51679 3/20 0.40
MMP2 P08253 7/20 0.40
MMP8 P22894 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP12 P39900 1/20 0.36
MMP14 P50281 1/20 0.36
MMP15 P51511 1/20 0.36

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
SCHEMBL7142696 1.00 MME (0.49) MMEACEECE1MMP1MMP3
SCHEMBL7135744 0.91 MME (0.51) MMEACEECE1MMP1MMP3
SCHEMBL7135747 0.91 MME (0.51) MMEACEECE1MMP1MMP3
SCHEMBL7135712 0.88 ECE1 (0.53) MMEACEECE1MMP1MMP3
SCHEMBL6968000 0.88 MMP1 (0.47) MMEACEECE1MMP1MMP3
SCHEMBL5415765 0.88 MMP1 (0.47) MMEACEECE1MMP1MMP3
SCHEMBL7143294 0.88 CCR4 (0.40) MMEACEECE1MMP1MMP3
SCHEMBL7138793 0.88 CCR4 (0.40) MMEACEECE1MMP1MMP3
SCHEMBL5723235 0.87 MME (0.45) MMEACEECE1MMP1MMP3
SCHEMBL5723166 0.85 MMP1 (0.46) MMEACEECE1MMP1MMP3

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.