SCHEMBL7140028

SCHEMBL7140028

COC(=O)c1ccccc1NC(=O)CN(C)C(=O)[C@@H]1C[C@@H](S)CN1C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.71
ACE P12821 1/20 0.71
ECE1 P42892 1/20 0.71
TACR1 P25103 1/20 0.42
ALDH1A1 P00352 6/20 0.41
TSHR P16473 4/20 0.41
HSD17B10 Q99714 4/20 0.41
MAPK10 P53779 2/20 0.41
KDM4E B2RXH2 6/20 0.40
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MAPK8 P45983 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
SCHEMBL7140020 1.00 MME (0.71) MMEACEECE1TACR1ALDH1A1
SCHEMBL7140017 0.85 MME (0.54) MMEACEECE1TACR1ALDH1A1
SCHEMBL7143405 0.85 MME (0.61) MMEACEECE1ALDH1A1TSHR
SCHEMBL7135289 0.85 MME (0.61) MMEACEECE1ALDH1A1TSHR
SCHEMBL7150559 0.83 ECE1 (1.00) MMEACEECE1ALDH1A1TSHR
SCHEMBL7139222 0.83 ECE1 (1.00) MMEACEECE1ALDH1A1TSHR
SCHEMBL7149793 0.79 TACR1 (0.46) MMEACEECE1TACR1
SCHEMBL7150859 0.79 TACR1 (0.46) MMEACEECE1TACR1
SCHEMBL7144822 0.78 MME (0.75) MMEACEECE1ALDH1A1TSHR
SCHEMBL7148539 0.78 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.