SCHEMBL3872289

SCHEMBL3872289

CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 17/20 0.50
LMNA P02545 1/20 0.46
KCNH2 Q12809 3/20 0.46
SLC6A5 Q9Y345 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
IRAK4 Q9NWZ3 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
SCHEMBL27705512 0.88 SLC6A9 (0.52) SLC6A9LMNAKCNH2SLC6A5SMN1; SMN2
SCHEMBL1097386 0.86 LMNA (0.55) SLC6A9LMNAKCNH2SLC6A5SMN1; SMN2
SCHEMBL3871603 0.85 IRAK4 (0.55) SLC6A9LMNAKCNH2SLC6A5IRAK4
SCHEMBL9598030 0.83 SMN1; SMN2 (0.57) SLC6A9LMNAKCNH2SMN1; SMN2
SCHEMBL1546613 0.79 LMNA (0.46) SLC6A9LMNAKCNH2SMN1; SMN2
SCHEMBL11519811 0.78 IDO1 (0.49) IRAK4
SCHEMBL5047509 0.77 LMNA (0.46) SLC6A9LMNAKCNH2SLC6A5SMN1; SMN2
SCHEMBL31606917 0.76 AR (0.47) LMNASMN1; SMN2IRAK4
SCHEMBL3072467 0.76 SLC6A9 (0.60) SLC6A9KCNH2SLC6A5
SCHEMBL3872961 0.76 SLC6A9 (0.66) SLC6A9SLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708334-B2 Substituted 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole and 4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine compounds as GlyT1 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-07-18 US disclosed
EP-3134406-A1 SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO [4,3-C]PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS Dart Neuroscience (Cayman) Ltd (KY) 2017-03-01 EP disclosed
US-20170044167-A1 SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO[4,3-C]PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS DART NEUROSCIENCE LLC 2017-02-16 US disclosed
WO-2015164520-A1 SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C] PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO [4,3-C] PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS DART NEUROSCIENCE, LLC (US) 2015-10-29 WO 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-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 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-1848694-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F. Hoffmann-Roche AG (CH) 2007-10-31 EP 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 SLC6A9 1024/4885LMNA 1835/4885KCNH2 1197/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 SLC6A9 1024/4885LMNA 1835/4885KCNH2 1197/4885
US-20170044167-A1 SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO[4,3-C]PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS GLRA1, GRIA3, GRIA4 SLC6A9 540/4885LMNA 4116/4885KCNH2 1178/4885

“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.