SCHEMBL5723097

SCHEMBL5723097

CNNC(=O)[C@@H]1C[C@@H](S)CN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 9/20 0.67
MME P08473 2/20 0.67
ACE P12821 2/20 0.67
EIF2AK3 Q9NZJ5 1/20 0.48
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CCR4 P51679 3/20 0.43
AKR1C3 P42330 3/20 0.43
AKR1C1 Q04828 1/20 0.42
HPGD P15428 1/20 0.42
PKM P14618 1/20 0.42

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
Dimethylamine SCHEMBL5724587 0.91 ECE1 (0.66) ECE1MMEACEEIF2AK3HCRTR1
SCHEMBL5723488 0.90 ECE1 (0.66) ECE1MMEACEEIF2AK3HCRTR1
SCHEMBL5722964 0.89 ECE1 (0.64) ECE1MMEACEEIF2AK3HCRTR1
SCHEMBL5722970 0.89 ECE1 (0.64) ECE1MMEACEEIF2AK3HCRTR1
SCHEMBL5723246 0.88 ECE1 (0.63) ECE1MMEACEEIF2AK3HCRTR1
SCHEMBL5723229 0.87 ECE1 (0.69) ECE1MMEACEEIF2AK3HCRTR1
SCHEMBL5723632 0.86 ECE1 (0.71) ECE1MMEACEEIF2AK3HCRTR1
SCHEMBL5723790 0.86 ECE1 (0.61) ECE1MMEACEEIF2AK3HCRTR1
SCHEMBL5723402 0.86 ECE1 (0.61) ECE1MMEACEEIF2AK3HCRTR1
SCHEMBL7148134 0.85 ECE1 (0.64) ECE1MMEACEEIF2AK3HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317428-B1 PYRROLIDINE-2-CARBOXYLIC ACID HYDRAZIDE DERIVATIVES FOR USE AS METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2006-04-19 EP disclosed
EP-1317428-A1 PYRROLIDINE-2-CARBOXYLIC ACID HYDRAZIDE DERIVATIVES FOR USE AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-11 EP disclosed
US-6444829-B1 (2S,4R)-4-MERCAPTO-1-(NAPHTHALENE-2-SULFONYL)-PYRROLIDINE-2 -CARBOXYLIC ACID N'-ISOBUTYL-N'-(4-METHYL-BENZENESULFONYL)-HYDRAZIDE, FOR EXAMPLE; INHIBITORS OF METALLOPROTEASES, E.G. ZINC PROTEASES; VASODILATORS HOFFMANN-LA ROCHE INC. 2002-09-03 US disclosed
US-20020040048-A1 PYRROLIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2002-04-04 US disclosed
WO-2002006224-A1 PYRROLIDINE-2-CARBOXYLIC ACID HYDRAZIDE DERIVATIVES FOR USE AS METALLOPROTEASE INHIBITORS 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-20020040048-A1 PYRROLIDINE COMPOUNDS PREP, PEPD, MMP3 ECE1 5/4885MME 56/4885ACE 33/4885

“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.