SCHEMBL4032274

SCHEMBL4032274

Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4cccnc34)C(C(=O)NCC(C)c3ccccc3)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 1/20 0.48
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 2/20 0.47
HCRTR1 O43613 1/20 0.47
USP2 O75604 1/20 0.46
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
TSHR P16473 1/20 0.44
GFER P55789 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
SCHEMBL4033581 0.95 GAA (0.57) GAAALDH1A1HPGDKMT2AHCRTR1
SCHEMBL4033096 0.93 GAA (0.60) GAASMN1; SMN2ALDH1A1HPGDTP53
SCHEMBL4034739 0.92 GAA (0.53) GAASMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL4034975 0.91 GAA (0.52) GAAALDH1A1HPGDKMT2AHCRTR1
SCHEMBL1382478 0.89 ALDH1A1 (0.53) GAAALDH1A1HPGDKMT2AMAPT
SCHEMBL4035740 0.86 ALDH1A1 (0.51) GAAALDH1A1KMT2AUSP2NPSR1
SCHEMBL4037109 0.86 GAA (0.57) GAASMN1; SMN2ALDH1A1HPGDTP53
SCHEMBL4034695 0.85 GAA (0.51) GAAALDH1A1HPGDKMT2AHCRTR1
SCHEMBL4033586 0.82 ALDH1A1 (0.55) GAAALDH1A1USP2NPSR1
SCHEMBL4036877 0.82 ALDH1A1 (0.52) GAAALDH1A1TP53USP2NPSR1

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 4649/4885SMN1; SMN2 2201/4885ALDH1A1 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.