SCHEMBL7141697

SCHEMBL7141697

CCOc1ccc(S(=O)(=O)N2CC(S)CC2C(=O)N(C)Cc2ccccc2)cc1C(=O)O

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
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP13 P45452 1/20 0.39
USP2 O75604 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MMP9 P14780 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL7148169 1.00 MME (0.49) MMEACEECE1KDM4EALDH1A1
SCHEMBL7140620 0.85 MME (0.52) MMEACEECE1KDM4EALDH1A1
SCHEMBL7140615 0.82 MME (0.75) MMEACEECE1KDM4EALDH1A1
SCHEMBL7140613 0.82 MME (0.75) MMEACEECE1KDM4EALDH1A1
SCHEMBL7134758 0.82 ECE1 (0.63) MMEACEECE1KDM4EALDH1A1
SCHEMBL7135953 0.82 ECE1 (0.63) MMEACEECE1KDM4EALDH1A1
SCHEMBL7135937 0.82 ECE1 (0.63) MMEACEECE1KDM4EALDH1A1
SCHEMBL7142447 0.81 MMP3 (0.51) MMEACEECE1KDM4EALDH1A1
SCHEMBL7150454 0.81 ALDH1A1 (0.48) MMEACEECE1KDM4EALDH1A1
SCHEMBL7138312 0.81 ALDH1A1 (0.48) MMEACEECE1KDM4EALDH1A1

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.