SCHEMBL5723124

SCHEMBL5723124

Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2C[C@@H](S)CN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
ECE1 P42892 1/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 4/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 6/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.42
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL5723320 0.90 MME (0.48) MMEACEECE1ALDH1A1GAA
SCHEMBL5724342 0.89 ALDH1A1 (0.55) MMEACEECE1ALDH1A1GAA
SCHEMBL5722907 0.89 GAA (0.53) MMEACEECE1ALDH1A1GAA
SCHEMBL5723156 0.87 MME (0.53) MMEACEECE1ALDH1A1GAA
SCHEMBL5723262 0.86 MME (0.47) MMEACEECE1ALDH1A1GAA
SCHEMBL5723454 0.86 POLB (0.51) MMEACEECE1ALDH1A1GAA
SCHEMBL5723144 0.85 ECE1 (0.55) MMEACEECE1ALDH1A1GAA
SCHEMBL5723356 0.85 ALDH1A1 (0.51) MMEACEECE1ALDH1A1GAA
SCHEMBL5723289 0.85 MME (0.49) MMEACEECE1ALDH1A1GAA
SCHEMBL5723182 0.85 MME (0.47) MMEACEECE1ALDH1A1GAA

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 8 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 claimed
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 claimed
US-20020040048-A1 PYRROLIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2002-04-04 US claimed
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 MME 56/4885ACE 33/4885ECE1 5/4885

“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.