SCHEMBL7140139

SCHEMBL7140139

CCOC(=O)c1ccc(NC(=O)CN(C)C(=O)C2CC(S)CN2S(=O)(=O)C=Cc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
ECE1 P42892 1/20 0.46
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
PPARG P37231 1/20 0.42
MAPT P10636 5/20 0.41
GAA P10253 5/20 0.41
MAPK1 P28482 4/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRB2 P07550 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL7147197 1.00 MME (0.46) MMEACEECE1CA12CA9
SCHEMBL7149987 0.90 MME (0.45) MMEACEECE1CA12CA9
SCHEMBL7149981 0.90 MME (0.45) MMEACEECE1CA12CA9
SCHEMBL7134807 0.90 MME (0.45) MMEACEECE1CA12CA9
SCHEMBL7147188 0.86 MEN1 (0.44) CA12CA9PPARGMAPTGAA
SCHEMBL7148177 0.86 MAPT (0.52) MMEACEECE1CA12CA9
SCHEMBL7141907 0.86 MAPT (0.52) MMEACEECE1CA12CA9
SCHEMBL7150125 0.84 MME (0.46) MMEACEECE1CA12CA9
SCHEMBL7144390 0.84 MME (0.46) MMEACEECE1CA12CA9
SCHEMBL7150285 0.84 MAPT (0.46) MMEACEECE1CA12CA9

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.