SCHEMBL5722900

SCHEMBL5722900

COc1ccc(CS[C@@H]2C[C@@H](C(=O)NN)N(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 14/20 0.47
MMP1 P03956 13/20 0.47
MMP2 P08253 12/20 0.47
MMP13 P45452 12/20 0.47
MMP7 P09237 10/20 0.47
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
ECE1 P42892 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MMP9 P14780 3/20 0.43
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 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
SCHEMBL5723766 1.00 MMP3 (0.47) MMP3MMP1MMP2MMP13MMP7
SCHEMBL7150105 0.92 MMP3 (0.45) MMP3MMP1MMP2MMP13MMP7
SCHEMBL6977450 0.90 ALDH1A1 (0.47) MMP3MMP1MMP2MMP13MMP7
SCHEMBL5723279 0.90 ALDH1A1 (0.47) MMP3MMP1MMP2MMP13MMP7
SCHEMBL5723539 0.89 CA12 (0.49) MMP3MMP1MMP2MMP13MMP7
SCHEMBL7148270 0.89 ALDH1A1 (0.48) MMP3MMP1MMP2MMP13MMP7
SCHEMBL7148276 0.89 ALDH1A1 (0.48) MMP3MMP1MMP2MMP13MMP7
SCHEMBL7141010 0.88 ALDH1A1 (0.47) MMP3MMP1MMP2MMP13MMP7
SCHEMBL7139058 0.88 ALDH1A1 (0.47) MMP3MMP1MMP2MMP13MMP7
SCHEMBL5723235 0.87 MME (0.45) MMP3MMP1MMP2MMP13MMP7

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 MMP3 3/4885MMP1 35/4885MMP2 45/4885

“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.