SCHEMBL4032606

SCHEMBL4032606

O=C(NC(c1ccccc1)c1ccccc1)C1CN(C(=O)COc2ccccc2)CCN1S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
MMP1 P03956 1/20 0.50
MMP3 P08254 1/20 0.50
MMP7 P09237 1/20 0.50
MMP9 P14780 1/20 0.50
MMP13 P45452 1/20 0.50
TSHR P16473 3/20 0.47
GFER P55789 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 4/20 0.45
LMNA P02545 2/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPK1 P28482 2/20 0.44
HCRTR1 O43613 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX15 P16050 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
POLB P06746 2/20 0.44
USP2 O75604 1/20 0.43

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
SCHEMBL4035404 0.86 GAA (0.55) GAAMMP1MMP3MMP7MMP9
SCHEMBL4035342 0.86 MAPK1 (0.59) GAAMMP1MMP3MMP7MMP9
SCHEMBL4032584 0.86 GAA (0.62) GAATSHRGFERALDH1A1HPGD
SCHEMBL4038343 0.85 GAA (0.57) GAATSHRGFERALDH1A1HPGD
SCHEMBL4034086 0.84 GAA (0.60) GAATSHRGFERALDH1A1HPGD
SCHEMBL4032608 0.84 MMP1 (0.55) GAAMMP1MMP3MMP7MMP9
SCHEMBL1383866 0.84 GAA (0.64) GAATSHRGFERALDH1A1HPGD
SCHEMBL6230533 0.83 MAPK1 (0.53) GAAMMP1MMP3MMP7MMP9
SCHEMBL4033081 0.81 ALDH1A1 (0.52) GAAMMP1MMP3MMP7MMP9
SCHEMBL4034480 0.80 GAA (0.57) GAATSHRGFERALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US claimed
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US claimed
US-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US disclosed
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP disclosed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US 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-20070142391-A1 Piperazine-2-carboxamide derivatives P2RX5, P2RX2, NPY5R GAA 4649/4885MMP1 3474/4885MMP3 2393/4885

“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.