SCHEMBL3875822

SCHEMBL3875822

CS(=O)(=O)c1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
PTGS2 P35354 6/20 0.56
SLC6A9 P48067 4/20 0.54
PTGDR2 Q9Y5Y4 1/20 0.54
FOLH1 Q04609 1/20 0.51
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL6643834 0.87 PTGS2 (0.53) LMNAPTGS2SLC6A9PTGDR2
SCHEMBL1259335 0.87 PTGDR2 (0.57) LMNAPTGS2SLC6A9PTGDR2
SCHEMBL8259316 0.86 LMNA (0.54) LMNAPTGS2SLC6A9HSD17B10
SCHEMBL1812902 0.86 PTGS2 (0.58) LMNAPTGS2SLC6A9
SCHEMBL3875280 0.86 LMNA (0.62) LMNAPTGS2PTGDR2HSD17B10
SCHEMBL3873005 0.86 LMNA (0.54) LMNAPTGS2SLC6A9HSD17B10
SCHEMBL4940447 0.85 PTGS2 (0.59) LMNAPTGS2
SCHEMBL3884199 0.85 SLC6A9 (0.53) LMNAPTGS2SLC6A9
SCHEMBL3874637 0.84 PTGS2 (0.65) LMNAPTGS2SLC6A9PTGDR2
SCHEMBL4942150 0.83 SMN1; SMN2 (0.70) LMNAPTGS2

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794593-B1 SPIRO AMINIC COMPOUNDS AS OREXIN ANTAGONISTS Rottapharm Biotech Srl (IT) 2017-02-01 EP disclosed
EP-2794593-B1 SPIRO AMINIC COMPOUNDS AS OREXIN ANTAGONISTS Rottapharm Biotech Srl (IT) 2017-02-01 EP disclosed
US-9062033-B2 Chemical compounds ROTTAPHARM BIOTECH S.R.L. (IT) 2015-06-23 US disclosed
US-9062033-B2 Chemical compounds ROTTAPHARM BIOTECH S.R.L. (IT) 2015-06-23 US disclosed
US-9062033-B2 Chemical compounds ROTTAPHARM BIOTECH S.R.L. (IT) 2015-06-23 US disclosed
US-20140357653-A1 CHEMICAL COMPOUNDS ROTTAPHARM BIOTECH S.R.L. (IT) 2014-12-04 US disclosed
US-20140357653-A1 CHEMICAL COMPOUNDS ROTTAPHARM BIOTECH S.R.L. (IT) 2014-12-04 US disclosed
US-20140357653-A1 CHEMICAL COMPOUNDS ROTTAPHARM BIOTECH S.R.L. (IT) 2014-12-04 US disclosed
EP-2794593-A1 CHEMICAL COMPOUNDS Rottapharm Biotech S.r.l. (IT) 2014-10-29 EP disclosed
WO-2013092893-A1 CHEMICAL COMPOUNDS ROTTAPHARM SPA (IT) 2013-06-27 WO disclosed
WO-2006094842-A1 ACYLATED PIPERIDIHES AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 US disclosed
WO-2006079467-A1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS F. HOFMANN-LA ROCHE AG (CH) 2006-08-03 WO disclosed
US-20060167023-A1 Substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-07-27 US 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
EP-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 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 (4 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-20060167023-A1 Substituted phenyl methanones SLC6A7, SLC1A1, SLC26A3 LMNA 2647/4885PTGS2 1679/4885SLC6A9 12/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 LMNA 1835/4885PTGS2 1021/4885SLC6A9 1024/4885
US-20050059668-A1 Substituted acylpiperazine derivatives AGPAT5, ACHE, GRIK5 LMNA 4830/4885PTGS2 1773/4885SLC6A9 2325/4885
US-20140357653-A1 CHEMICAL COMPOUNDS HCRTR2, HCRTR1, NPY1R LMNA 3535/4885PTGS2 1736/4885SLC6A9 1844/4885

“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.