SCHEMBL7150559

SCHEMBL7150559

COC(=O)c1ccccc1NC(=O)CN(C)C(=O)[C@@H]1C[C@@H](S)CN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 1.00
MME P08473 2/20 1.00
ACE P12821 2/20 1.00
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 7/20 0.45
TSHR P16473 5/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
MAPK10 P53779 1/20 0.41
MAPK1 P28482 1/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7139222 1.00 ECE1 (1.00) ECE1MMEACEKDM4EALDH1A1
SCHEMBL7141619 0.92 ECE1 (0.85) ECE1MMEACEKMT2AMEN1
SCHEMBL7148854 0.92 ECE1 (0.85) ECE1MMEACEKMT2AMEN1
SCHEMBL7138936 0.89 ECE1 (0.80) ECE1MMEACEKDM4EALDH1A1
SCHEMBL7143592 0.89 ECE1 (0.79) ECE1MMEACEKDM4EALDH1A1
SCHEMBL7148347 0.86 ECE1 (0.75) ECE1MMEACEKDM4EALDH1A1
SCHEMBL7140615 0.86 MME (0.75) ECE1MMEACEKDM4EALDH1A1
SCHEMBL7140613 0.86 MME (0.75) ECE1MMEACEKDM4EALDH1A1
SCHEMBL7144822 0.86 MME (0.75) ECE1MMEACEKDM4EALDH1A1
SCHEMBL7148539 0.86 MME (0.75) ECE1MMEACEKDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020049243-A1 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. 2002-04-25 US claimed
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

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 ECE1 4/4885MME 99/4885ACE 44/4885

“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.