SCHEMBL5723069

SCHEMBL5723069

O=C(NNCc1ccccc1)[C@@H]1C[C@@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 6/20 0.43
MME P08473 2/20 0.42
ACE P12821 2/20 0.42
ECE1 P42892 2/20 0.42
MMP9 P14780 1/20 0.41
CAPN1 P07384 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
EIF2AK3 Q9NZJ5 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MMP1 P03956 4/20 0.37
ADAM17 P78536 3/20 0.37
AKR1C3 P42330 3/20 0.37
AKR1C1 Q04828 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL6977841 1.00 CCR4 (0.43) CCR4MMEACEECE1MMP9
SCHEMBL5723096 0.88 TRPA1 (0.43) CCR4MMEACEECE1LMNA
SCHEMBL7146134 0.86 LMNA (0.51) CCR4MMEACEECE1MMP9
SCHEMBL5723986 0.86 MME (0.47) CCR4MMEACEECE1MMP9
SCHEMBL5723228 0.86 MME (0.47) CCR4MMEACEECE1MMP9
SCHEMBL6978080 0.84 AKR1C3 (0.47) CCR4MMEACEECE1LMNA
SCHEMBL5402095 0.84 AKR1C3 (0.47) CCR4MMEACEECE1LMNA
SCHEMBL5723508 0.84 HDAC3 (0.41) CCR4MMEACEECE1MMP9
SCHEMBL5723585 0.83 ECE1 (0.59) CCR4MMEACEECE1MMP9
SCHEMBL6968343 0.82 MME (0.43) CCR4MMEACEECE1LMNA

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 CCR4 1795/4885MME 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.