SCHEMBL5723329

SCHEMBL5723329

COc1ccc(CSC2CC(C(=O)N(C)N(Cc3ccccc3)C(=O)OC(C)(C)C)N(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 3/20 0.40
MMP1 P03956 12/20 0.40
MMP3 P08254 11/20 0.40
MMP13 P45452 7/20 0.40
MME P08473 2/20 0.40
ACE P12821 2/20 0.40
ECE1 P42892 2/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP2 P08253 8/20 0.38
MMP7 P09237 5/20 0.38
CHRM5 P08912 1/20 0.36
MMP9 P14780 7/20 0.36
MMP8 P22894 3/20 0.36
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL5723334 1.00 CCR4 (0.40) CCR4MMP1MMP3MMP13MME
SCHEMBL6974189 0.89 MME (0.44) CCR4MMP1MMP3MMP13MME
SCHEMBL5723122 0.89 MME (0.44) CCR4MMP1MMP3MMP13MME
SCHEMBL5723179 0.85 MME (0.43) CCR4MMP1MMP3MMP13MME
SCHEMBL5723175 0.85 MME (0.43) CCR4MMP1MMP3MMP13MME
SCHEMBL5723235 0.85 MME (0.45) CCR4MMP1MMP3MMP13MME
SCHEMBL5723696 0.84 MME (0.45) CCR4MMP1MMP3MMP13MME
SCHEMBL7150109 0.83 MME (0.45) CCR4MMP1MMP3MMP13MME
SCHEMBL7135744 0.83 MME (0.51) CCR4MMP1MMP3MMP13MME
SCHEMBL7135747 0.83 MME (0.51) CCR4MMP1MMP3MMP13MME

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 1795/4885MMP1 35/4885MMP3 3/4885

“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.