SCHEMBL1105669

SCHEMBL1105669

C[C@H](Oc1ccc(S([11CH3])(=O)=O)cc1C(=O)N1Cc2ccc(C3CCOCC3)cc2C1)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 0.70
KCNH2 Q12809 1/20 0.61

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
SCHEMBL1096822 1.00 SLC6A9 (1.00) SLC6A9SLC6A5KCNH2
SCHEMBL30510966 1.00 SLC6A9 (1.00) SLC6A9SLC6A5KCNH2
SCHEMBL1105709 0.95 SLC6A9 (0.91) SLC6A9SLC6A5KCNH2
SCHEMBL3871633 0.95 SLC6A9 (0.91) SLC6A9SLC6A5KCNH2
SCHEMBL1105671 0.94 SLC6A9 (0.89) SLC6A9SLC6A5KCNH2
SCHEMBL1096140 0.93 SLC6A9 (0.86) SLC6A9SLC6A5KCNH2
SCHEMBL1105660 0.91 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL1096536 0.91 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL1460872 0.90 SLC6A9 (0.82) SLC6A9SLC6A5KCNH2
SCHEMBL1123456 0.90 SLC6A9 (0.82) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153679-B2 Radiolabelled inhibitors of the glycine 1 transporter HOFFMANN-LA ROCHE INC. (US) 2012-04-10 US disclosed
US-20100111862-A1 RADIOLABELLED INHIBITORS OF THE GLYCINE 1 TRANSPORTER F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 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 (1 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-20100111862-A1 RADIOLABELLED INHIBITORS OF THE GLYCINE 1 TRANSPORTER SLC1A5, SLC7A1, SLC1A1 SLC6A9 14/4885SLC6A5 7/4885KCNH2 1828/4885

“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.