SCHEMBL4432809

SCHEMBL4432809

CS(=O)(=O)c1ccc(C2=CCCC2)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
PTGS2 P35354 1/20 0.49
ACMSD Q8TDX5 2/20 0.46
CLCN2 P51788 1/20 0.38
GRM2 Q14416 1/20 0.37
SLC6A9 P48067 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL4428340 0.96 PTGS2 (0.54) LMNAPTGS2ACMSDCLCN2SLC6A9
SCHEMBL4435092 0.95 PTGS2 (0.53) LMNAPTGS2ACMSDCLCN2SLC6A9
SCHEMBL17202468 0.85 PTGS2 (0.46) LMNAPTGS2ACMSDMAPTGAA
SCHEMBL1815402 0.80 LMNA (0.47) LMNA
SCHEMBL8993514 0.78 PTGS2 (0.52) PTGS2GRM2
SCHEMBL8993599 0.75 PTGS2 (0.49) PTGS2
SCHEMBL30868341 0.75 ALDH1A1 (0.52) LMNAACMSDMAPTGAAPOLB
SCHEMBL23361312 0.74 PTGS2 (0.58) PTGS2
SCHEMBL29826462 0.74 PTGS2 (0.58) PTGS2
SCHEMBL17202458 0.73 ACMSD (0.47) ACMSDCLCN2GRM2

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
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 LMNA 4830/4885PTGS2 1773/4885ACMSD 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.