SCHEMBL4033588

SCHEMBL4033588

O=C(NCc1cccs1)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.54
GAA P10253 2/20 0.54
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 2/20 0.49
PKM P14618 2/20 0.48
HTT P42858 1/20 0.47
GLA P06280 1/20 0.44

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
SCHEMBL4036042 0.92 PKM (0.53) USP2GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL4032527 0.87 USP2 (0.60) USP2GAAALDH1A1SMN1; SMN2POLB
SCHEMBL4032579 0.86 ALDH1A1 (0.56) USP2GAAALDH1A1SMN1; SMN2POLB
SCHEMBL14499825 0.84 GAA (0.51) USP2GAAALDH1A1SMN1; SMN2POLB
SCHEMBL4035235 0.83 ALDH1A1 (0.76) USP2GAAALDH1A1SMN1; SMN2POLB
SCHEMBL4032756 0.83 ALDH1A1 (0.51) GAAALDH1A1SMN1; SMN2PKM
SCHEMBL6189627 0.81 MMP1 (0.52) USP2GAAALDH1A1
SCHEMBL4035588 0.81 ALDH1A1 (0.59) USP2GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL4035013 0.80 MEN1 (0.46) ALDH1A1SMN1; SMN2POLBPKM
SCHEMBL1382447 0.78 ALDH1A1 (0.46) USP2GAAALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP disclosed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 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-20070142391-A1 Piperazine-2-carboxamide derivatives P2RX5, P2RX2, NPY5R USP2 2122/4885GAA 4649/4885ALDH1A1 610/4885

“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.