SCHEMBL7145369

SCHEMBL7145369

COC(=O)c1ccc(N(C)C(=O)CN(C)C(=O)[C@@H]2C[C@@H](S)CN2S(=O)(=O)c2cccc3cccnc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
ECE1 P42892 1/20 0.46
ALDH1A1 P00352 4/20 0.44
POLB P06746 2/20 0.42
TP53 P04637 2/20 0.42
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
HSP90AA1 P07900 1/20 0.39
GFER P55789 2/20 0.39
HCRTR1 O43613 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7145372 1.00 MME (0.46) MMEACEECE1ALDH1A1POLB
SCHEMBL7145466 0.92 FABP1 (0.43) MMEACEECE1ALDH1A1POLB
SCHEMBL7145467 0.92 FABP1 (0.43) MMEACEECE1ALDH1A1POLB
SCHEMBL7138016 0.88 ALDH1A1 (0.44) ALDH1A1POLBTP53GAAHPGD
SCHEMBL7138019 0.88 ALDH1A1 (0.44) ALDH1A1POLBTP53GAAHPGD
SCHEMBL7138196 0.88 MME (0.50) MMEACEECE1LMNAHCRTR1
SCHEMBL7146638 0.88 MME (0.50) MMEACEECE1LMNAHCRTR1
SCHEMBL7150544 0.87 ALDH1A1 (0.47) MMEACEECE1ALDH1A1POLB
SCHEMBL7139216 0.83 POLB (0.52) MMEACEECE1ALDH1A1POLB
SCHEMBL7149084 0.83 POLB (0.52) MMEACEECE1ALDH1A1POLB

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.