Sugi Predict

Sugi Predict / Compounds / SCHEMBL1380179

SCHEMBL1380179

SCHEMBL1380179

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc3cccnc23)C(C(=O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.51
▸ TSHR P16473 3/20 0.50
▸ GFER P55789 2/20 0.50
▸ ALOX15 P16050 2/20 0.49
▸ HCRTR1 O43613 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ THRB P10828 1/20 0.47

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
SCHEMBL13886846 1.00 GAA (0.51) GAATSHRGFERALOX15HCRTR1
Hydrochloric Acid SCHEMBL4035609 0.99 GAA (0.50) GAATSHRGFERALOX15HCRTR1
Hydrochloric Acid SCHEMBL4034494 0.99 GAA (0.50) GAATSHRGFERALOX15HCRTR1
SCHEMBL4035097 0.88 ALOX15 (0.47) GAATSHRGFERALOX15HCRTR1
Hydrochloric Acid SCHEMBL4036663 0.87 ALOX15 (0.46) GAATSHRGFERALOX15HCRTR1
SCHEMBL14499802 0.84 ALDH1A1 (0.51) GAATSHRGFERHCRTR1KMT2A
SCHEMBL4037270 0.84 ALDH1A1 (0.51) GAATSHRGFERHCRTR1KMT2A
SCHEMBL4573423 0.83 CHRM1 (0.51) TSHRALOX15KMT2AMAPK1ALDH1A1
SCHEMBL4033244 0.80 GAA (0.58) GAATSHRGFERALOX15HCRTR1
SCHEMBL4035557 0.79 MMP1 (0.62) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4825664-B2 — — 2011-11-30 — — JP 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
US-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 — — US disclosed
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
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 — — US 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 4649/4885TSHR 1619/4885GFER 1828/4885

“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.