SCHEMBL7140613

SCHEMBL7140613

CCOc1ccc(S(=O)(=O)N2CC(S)CC2C(=O)N(C)CC(=O)Nc2ccccc2C(=O)OC)cc1C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.75
ACE P12821 2/20 0.75
ECE1 P42892 2/20 0.75
ALDH1A1 P00352 6/20 0.45
TSHR P16473 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 6/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 4/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7140615 1.00 MME (0.75) MMEACEECE1ALDH1A1TSHR
SCHEMBL7139222 0.86 ECE1 (1.00) MMEACEECE1ALDH1A1TSHR
SCHEMBL7150559 0.86 ECE1 (1.00) MMEACEECE1ALDH1A1TSHR
SCHEMBL7140620 0.84 MME (0.52) MMEACEECE1ALDH1A1TSHR
SCHEMBL7148854 0.83 ECE1 (0.85) MMEACEECE1KMT2AL3MBTL1
SCHEMBL7141619 0.83 ECE1 (0.85) MMEACEECE1KMT2AL3MBTL1
SCHEMBL7148169 0.82 MME (0.49) MMEACEECE1ALDH1A1TSHR
SCHEMBL7141697 0.82 MME (0.49) MMEACEECE1ALDH1A1TSHR
SCHEMBL7144822 0.81 MME (0.75) MMEACEECE1ALDH1A1TSHR
SCHEMBL7148539 0.81 MME (0.75) MMEACEECE1ALDH1A1TSHR

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.