SCHEMBL3872043

SCHEMBL3872043

COc1cc2c(cc1C(F)(F)F)CN(C(=O)c1cc(S(C)(=O)=O)ccc1O[C@@H](C)C(F)(F)F)C2

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.77
SLC6A5 Q9Y345 3/20 0.71

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
SCHEMBL3885325 0.90 SLC6A9 (0.71) SLC6A9SLC6A5
SCHEMBL3916682 0.90 SLC6A9 (0.75) SLC6A9SLC6A5
SCHEMBL1462074 0.90 SLC6A9 (0.75) SLC6A9SLC6A5
SCHEMBL3874059 0.90 SLC6A9 (0.75) SLC6A9SLC6A5
SCHEMBL3873372 0.89 SLC6A9 (0.74) SLC6A9SLC6A5
SCHEMBL3934104 0.89 SLC6A9 (0.74) SLC6A9SLC6A5
SCHEMBL13789502 0.89 SLC6A9 (0.77) SLC6A9SLC6A5
SCHEMBL1459956 0.89 SLC6A9 (0.77) SLC6A9SLC6A5
SCHEMBL3874021 0.89 SLC6A9 (0.77) SLC6A9SLC6A5
SCHEMBL3877137 0.89 SLC6A9 (0.74) 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106163520-B GLYT1 inhibitors for the treatment of hematological disorders 豪夫迈·罗氏有限公司 2019-12-13 CN claimed
EP-3137073-B1 GLYT1 INHIBITORS FOR USE IN THE TREATMENT OF HEMATOLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2018-06-06 EP claimed
US-9877963-B2 GlyT1 inhibitors for use in the treatment of hematological disorders HOFFMANN-LA ROCHE INC. (US) 2018-01-30 US claimed
EP-3137073-A1 GLYT1 INHIBITORS FOR USE IN THE TREATMENT OF HEMATOLOGICAL DISORDERS F. Hoffmann-La Roche AG (CH) 2017-03-08 EP claimed
US-20170042888-A1 GLYT1 INHIBITORS FOR USE IN THE TREATMENT OF HEMATOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 2017-02-16 US claimed
WO-2015165842-A1 GLYT1 INHIBITORS FOR USE IN THE TREATMENT OF HEMATOLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2015-11-05 WO claimed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US claimed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP claimed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US claimed
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 US claimed
CN-106163520-B GLYT1 inhibitors for the treatment of hematological disorders 豪夫迈·罗氏有限公司 2019-12-13 CN disclosed
EP-3137073-B1 GLYT1 INHIBITORS FOR USE IN THE TREATMENT OF HEMATOLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2018-06-06 EP disclosed
US-9877963-B2 GlyT1 inhibitors for use in the treatment of hematological disorders HOFFMANN-LA ROCHE INC. (US) 2018-01-30 US disclosed
EP-3137073-A1 GLYT1 INHIBITORS FOR USE IN THE TREATMENT OF HEMATOLOGICAL DISORDERS F. Hoffmann-La Roche AG (CH) 2017-03-08 EP disclosed
US-20170042888-A1 GLYT1 INHIBITORS FOR USE IN THE TREATMENT OF HEMATOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 2017-02-16 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US 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
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 1024/4885SLC6A5 639/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 SLC6A9 1024/4885SLC6A5 639/4885
US-20170042888-A1 GLYT1 INHIBITORS FOR USE IN THE TREATMENT OF HEMATOLOGICAL DISORDERS SLC40A1, GFPT1, HBG1 SLC6A9 121/4885SLC6A5 142/4885

“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.