SCHEMBL3873005

SCHEMBL3873005

CS(=O)(=O)c1ccc(-c2ccncc2)c(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
CYP46A1 Q9Y6A2 1/20 0.44
EIF4E P06730 1/20 0.43
SLC6A9 P48067 2/20 0.43
MAPK13 O15264 1/20 0.43
RAF1 P04049 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
SCD O00767 1/20 0.43
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
IKBKE Q14164 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
SCHEMBL3875822 0.86 LMNA (0.58) LMNAPTGS2SLC6A9HSD17B10
SCHEMBL3885650 0.84 CYP46A1 (0.66) LMNAPTGS2PTGS1CYP46A1MAPK13
SCHEMBL4940447 0.84 PTGS2 (0.59) LMNAPTGS2PTGS1EIF4E
SCHEMBL3875280 0.82 LMNA (0.62) LMNAPTGS2EIF4EHSD17B10SMN1; SMN2
SCHEMBL1812902 0.82 PTGS2 (0.58) LMNAPTGS2SLC6A9IKBKB
SCHEMBL8259316 0.82 LMNA (0.54) LMNAPTGS2SLC6A9HSD17B10SMN1; SMN2
SCHEMBL4940341 0.79 LMNA (0.51) LMNAPTGS2EIF4E
SCHEMBL4942150 0.79 SMN1; SMN2 (0.70) LMNAPTGS2PTGS1SMN1; SMN2
SCHEMBL3880622 0.79 LMNA (0.54) LMNAPTGS2PTGS1SLC6A9
SCHEMBL4941264 0.78 SLC6A9 (0.52) LMNAPTGS2EIF4ESLC6A9HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
CN-101119968-B Heterocyclically substituted phenyl methanone derivatives as glycine transporter 1 inhibitors HOFFMANN LA ROCHE 2011-08-31 CN disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors GLAXO GROUP LIMITED 2008-10-16 US disclosed
US-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors GLAXO GROUP LIMITED 2008-10-16 US disclosed
CN-101119968-A Heterocyclically substituted phenyl methanone derivatives as glycine transporter 1 inhibitors HOFFMANN LA ROCHE (CH) 2008-02-06 CN disclosed
EP-1858869-A1 ACYLATED PIPERIDINES AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
EP-1848694-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F. Hoffmann-Roche AG (CH) 2007-10-31 EP disclosed
WO-2006094842-A1 ACYLATED PIPERIDIHES AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 LMNA 1835/4885PTGS2 1021/4885PTGS1 695/4885
US-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors SLC1A1, SLC6A7, SLC1A2 LMNA 4248/4885PTGS2 2558/4885PTGS1 1435/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 LMNA 1835/4885PTGS2 1021/4885PTGS1 695/4885

“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.