SCHEMBL1383996

SCHEMBL1383996

CC1(C(N)=O)CN(C(N)=O)CCN1S(=O)(=O)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 8/20 0.46
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD11B1 P28845 1/20 0.43
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4036536 0.80 MAPT (0.45) PKMALDH1A1LMNAKMT2AMEN1
SCHEMBL29284985 0.74 PKM (0.56) PKMRAB9AALDH1A1HSD11B1POLB
SCHEMBL18711517 0.70 PKM (0.73) PKMRAB9AALDH1A1POLBKMT2A
Acetic Acid SCHEMBL27550400 0.64 KMT2A (0.58) PKMRAB9AALDH1A1LMNAPOLB
SCHEMBL18701940 0.64 PKM (0.67) PKMRAB9AALDH1A1POLBKMT2A
SCHEMBL7077235 0.63 KMT2A (0.63) PKMRAB9AALDH1A1LMNAPOLB
SCHEMBL2042088 0.63 POLB (0.77) PKMRAB9AALDH1A1LMNAPOLB
SCHEMBL16781 0.62 PKM (0.71) PKMRAB9AALDH1A1POLBKMT2A
SCHEMBL12089501 0.62 MAPT (0.72) PKMRAB9AALDH1A1LMNAKMT2A
SCHEMBL17175752 0.62 KMT2A (0.73) PKMRAB9AALDH1A1POLBKMT2A

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
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
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 PKM 1747/4885RAB9A 4023/4885ALDH1A1 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.