SCHEMBL4034739

SCHEMBL4034739

COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4cccnc34)C(C(=O)NCC(C)c3ccccc3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.53
ALDH1A1 P00352 6/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MAPK1 P28482 3/20 0.51
HTT P42858 1/20 0.51
MMP1 P03956 2/20 0.50
MMP3 P08254 2/20 0.50
MMP7 P09237 2/20 0.50
MMP9 P14780 2/20 0.50
MMP13 P45452 2/20 0.50
LMNA P02545 2/20 0.49
HSP90AA1 P07900 1/20 0.49
ALOX15 P16050 2/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.46

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
SCHEMBL4033581 0.93 GAA (0.57) GAAALDH1A1HPGDMAPK1HTT
SCHEMBL4032274 0.92 GAA (0.55) GAAALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL4033096 0.91 GAA (0.60) GAAALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL1382478 0.91 ALDH1A1 (0.53) GAAALDH1A1HPGDMAPK1LMNA
SCHEMBL4034975 0.89 GAA (0.52) GAAALDH1A1HPGDMAPK1HTT
SCHEMBL4032496 0.87 ALDH1A1 (0.51) GAAALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL4039378 0.87 MMP1 (0.52) GAAALDH1A1MMP1MMP3MMP7
SCHEMBL4037009 0.85 ALDH1A1 (0.52) GAAALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL4037109 0.84 GAA (0.57) GAAALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL4034695 0.84 GAA (0.51) GAAALDH1A1HPGDMAPK1

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
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
EP-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP claimed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 WO 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 4649/4885ALDH1A1 610/4885HPGD 745/4885

“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.