SCHEMBL3871601

SCHEMBL3871601

C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2cc(C(F)(F)F)cnc2C1)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 1.00
SLC6A5 Q9Y345 3/20 0.68
KCNH2 Q12809 3/20 0.67

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
SCHEMBL5222857 1.00 SLC6A9 (1.00) SLC6A9SLC6A5KCNH2
SCHEMBL1461318 1.00 SLC6A9 (1.00) SLC6A9SLC6A5KCNH2
SCHEMBL18490920 0.94 SLC6A9 (0.89) SLC6A9SLC6A5KCNH2
SCHEMBL3872054 0.93 SLC6A9 (1.00) SLC6A9SLC6A5KCNH2
SCHEMBL3878358 0.91 SLC6A9 (0.84) SLC6A9SLC6A5KCNH2
SCHEMBL18502987 0.90 SLC6A9 (0.82) SLC6A9SLC6A5
SCHEMBL9882712 0.90 SLC6A9 (0.84) SLC6A9SLC6A5KCNH2
SCHEMBL9882711 0.90 SLC6A9 (0.84) SLC6A9SLC6A5KCNH2
SCHEMBL3871584 0.90 SLC6A9 (0.81) SLC6A9SLC6A5
SCHEMBL3880029 0.89 SLC6A9 (0.80) SLC6A9SLC6A5KCNH2

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 39 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
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP claimed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 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
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
US-9877963-B2 GlyT1 inhibitors for use in the treatment of hematological disorders HOFFMANN-LA ROCHE INC. (US) 2018-01-30 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
WO-2009068463-A2 PROCESS FOR THE PREPARATION OF ISOINDOLE DERIVATIVES AS WELL AS A PROCESS FOR THE PREPARATION OF THEIR INTERMEDIATES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO 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 (2 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-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 SLC6A9 1024/4885SLC6A5 639/4885KCNH2 1197/4885
US-20170042888-A1 GLYT1 INHIBITORS FOR USE IN THE TREATMENT OF HEMATOLOGICAL DISORDERS SLC40A1, GFPT1, HBG1 SLC6A9 121/4885SLC6A5 142/4885KCNH2 3010/4885

“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.