SCHEMBL4428340

SCHEMBL4428340

CS(=O)(=O)c1ccc(C2=CCCCC2)c(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.54
LMNA P02545 1/20 0.49
ACMSD Q8TDX5 2/20 0.47
CLCN2 P51788 1/20 0.42
SERPINE1 P05121 1/20 0.38
SLC6A9 P48067 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
CSF1R P07333 1/20 0.35

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
SCHEMBL4435092 0.99 PTGS2 (0.53) PTGS2LMNAACMSDCLCN2SERPINE1
SCHEMBL4432809 0.96 LMNA (0.50) PTGS2LMNAACMSDCLCN2SLC6A9
SCHEMBL17202468 0.82 PTGS2 (0.46) PTGS2LMNAACMSDGAAMAPT
SCHEMBL1815402 0.79 LMNA (0.47) LMNA
SCHEMBL23361312 0.79 PTGS2 (0.58) PTGS2CSF1R
SCHEMBL29826462 0.79 PTGS2 (0.58) PTGS2CSF1R
SCHEMBL8993514 0.74 PTGS2 (0.52) PTGS2
SCHEMBL11580876 0.73 CLCN2 (0.55) PTGS2ACMSDCLCN2SERPINE1GAA
SCHEMBL7259748 0.73 PTGS2 (0.74) PTGS2ACMSD
SCHEMBL3875822 0.72 LMNA (0.58) PTGS2LMNASLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1703909-B1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2009-04-15 EP disclosed
EP-1703909-B1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2009-04-15 EP disclosed
US-7462617-B2 Substituted acylpiperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-09 US disclosed
US-7462617-B2 Substituted acylpiperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-09 US disclosed
US-7462617-B2 Substituted acylpiperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-09 US disclosed
EP-1703909-A1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2006-09-27 EP disclosed
US-20050059668-A1 Substituted acylpiperazine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 US disclosed
WO-2005023261-A1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed
WO-2005023261-A1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 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-20050059668-A1 Substituted acylpiperazine derivatives AGPAT5, ACHE, GRIK5 PTGS2 1773/4885LMNA 4830/4885ACMSD 792/4885

“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.