SCHEMBL4038593

SCHEMBL4038593

O=C(O)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
POLB P06746 2/20 0.46
PKM P14618 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
AGTR2 P50052 4/20 0.42
RAB9A P51151 1/20 0.41

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
SCHEMBL4032756 0.85 ALDH1A1 (0.51) ALDH1A1CYP2D6CYP2C9CYP2C19PKM
SCHEMBL1381814 0.85 POLB (0.53) ALDH1A1POLBPKMSMN1; SMN2HTT
SCHEMBL4036042 0.84 PKM (0.53) ALDH1A1CYP2D6CYP2C9CYP2C19PKM
SCHEMBL1382447 0.84 ALDH1A1 (0.46) ALDH1A1CYP2D6CYP2C9CYP2C19POLB
SCHEMBL4038120 0.83 GAA (0.49) ALDH1A1CYP2D6CYP2C9CYP2C19L3MBTL1
SCHEMBL4032832 0.82 MEN1 (0.46) ALDH1A1CYP2D6CYP2C9CYP2C19POLB
SCHEMBL4035013 0.81 MEN1 (0.46) ALDH1A1POLBPKMSMN1; SMN2RAB9A
SCHEMBL4032673 0.81 TDP1 (0.44) ALDH1A1CYP2D6CYP2C9CYP2C19PKM
SCHEMBL4033382 0.81 POLB (0.43) ALDH1A1CYP2D6CYP2C9CYP2C19POLB
SCHEMBL4035588 0.81 ALDH1A1 (0.59) ALDH1A1PKMSMN1; SMN2HTT

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 5 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

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 ALDH1A1 610/4885CYP2D6 993/4885CYP2C9 1125/4885

“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.