SCHEMBL7140620

SCHEMBL7140620

CCOc1ccc(S(=O)(=O)N2CC(S)CC2C(=O)N(C)CC(=O)N(C(=O)OC)c2ccccc2)cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.52
ACE P12821 2/20 0.52
ECE1 P42892 2/20 0.52
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
ADAM17 P78536 1/20 0.33
NPC1 O15118 1/20 0.33
ATM Q13315 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
SCHEMBL7141697 0.85 MME (0.49) MMEACEECE1LMNAKDM4E
SCHEMBL7148169 0.85 MME (0.49) MMEACEECE1LMNAKDM4E
SCHEMBL7140615 0.84 MME (0.75) MMEACEECE1LMNAKDM4E
SCHEMBL7140613 0.84 MME (0.75) MMEACEECE1LMNAKDM4E
SCHEMBL7151576 0.73 MME (0.54) MMEACEECE1MAPK1RAB9A
SCHEMBL7151575 0.73 MME (0.54) MMEACEECE1MAPK1RAB9A
SCHEMBL7141906 0.73 ECE1 (0.64) MMEACEECE1TDP1L3MBTL1
SCHEMBL7141766 0.73 ECE1 (0.60) MMEACEECE1ALDH1A1
SCHEMBL7141908 0.73 ECE1 (0.64) MMEACEECE1TDP1L3MBTL1
SCHEMBL7141764 0.73 ECE1 (0.60) MMEACEECE1ALDH1A1

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.