Sugi Predict

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SCHEMBL7140037

SCHEMBL7140037

COC(=O)c1ccc(N(C)C(=O)CNC(=O)[C@@H]2C[C@@H](SC(C)=O)CN2S(=O)(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.43
▸ ACE P12821 2/20 0.43
▸ ECE1 P42892 2/20 0.43
▸ PLAU P00749 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ CCR4 P51679 5/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ MMP2 P08253 1/20 0.35
▸ MMP3 P08254 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL7140041 1.00 MME (0.43) MMEACEECE1PLAUPOLB
SCHEMBL7145970 0.88 MME (0.48) MMEACEECE1PLAUPOLB
SCHEMBL7145972 0.88 MME (0.48) MMEACEECE1PLAUPOLB
SCHEMBL7145412 0.88 ECE1 (0.56) MMEACEECE1PLAUPOLB
SCHEMBL7145417 0.88 ECE1 (0.56) MMEACEECE1PLAUPOLB
SCHEMBL7143954 0.86 PLAU (0.43) MMEACEECE1PLAUPOLB
SCHEMBL7144534 0.83 ALDH1A1 (0.45) MMEACEECE1PLAUPOLB
SCHEMBL7141960 0.83 ALDH1A1 (0.45) MMEACEECE1PLAUPOLB
SCHEMBL7145969 0.81 PLAU (0.46) MMEACEECE1PLAUPOLB
SCHEMBL7142668 0.80 ECE1 (0.57) MMEACEECE1LMNAALDH1A1

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 6 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 claimed
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 — — WO claimed
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.