Sugi Predict

Sugi Predict / Compounds / SCHEMBL3155206

SCHEMBL3155206

SCHEMBL3155206

CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCn2c(nc3ccccc32)C1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.52
▸ SLC6A9 P48067 16/20 0.51
▸ HTT P42858 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ SLC6A5 Q9Y345 1/20 0.45

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
SCHEMBL3143461 0.89 SLC6A9 (0.51) TSHRSLC6A9HTTALDH1A1KCNH2
SCHEMBL3149773 0.85 SLC6A9 (0.50) TSHRSLC6A9HTTALDH1A1
SCHEMBL4059873 0.77 SLC6A9 (0.59) SLC6A9ALDH1A1KCNH2SLC6A5
SCHEMBL3878359 0.77 SLC6A9 (0.78) SLC6A9SLC6A5
SCHEMBL3880642 0.77 SLC6A9 (0.68) SLC6A9KCNH2SLC6A5
SCHEMBL1381763 0.76 SLC6A9 (0.61) SLC6A9KCNH2SLC6A5
SCHEMBL4056903 0.76 SLC6A9 (0.62) SLC6A9KCNH2SLC6A5
SCHEMBL4057941 0.76 SLC6A9 (0.57) TSHRSLC6A9HTTKCNH2SLC6A5
SCHEMBL3150910 0.76 SLC6A9 (0.53) SLC6A9KCNH2SLC6A5
SCHEMBL3260823 0.74 SLC6A9 (0.51) SLC6A9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828200-B1 BI- AND TRICYCLIC SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER I (GLYT-1) INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE. HOFFMANN LA ROCHE (CH) 2010-02-17 — — EP disclosed
US-7375226-B2 Bi- and tricyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2008-05-20 — — US disclosed
US-7375226-B2 Bi- and tricyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2008-05-20 — — US disclosed
US-7375226-B2 Bi- and tricyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2008-05-20 — — US disclosed
EP-1828200-A1 BI- AND TRICYCLIC SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER I (GLYT-1) INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE. F. Hoffmann-Roche AG (CH) 2007-09-05 — — EP disclosed
WO-2006063709-A1 BI- AND TRICYCLIC SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER I (GLYT-1) INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 — — WO disclosed
US-20060128713-A1 (6-Chloro-3,4-dihydro-1H-benzo[4,5]thieno[2,3-c]pyridin-2-yl)-(2-isopropoxy-5-methanesulfonyl-phenyl)-methanone; glyicne transporter 1 (GlyT-1) and N-methyl-D-aspartate (NMDA) receptors inhibitor; psychoses, schizophrenia, attention deficit disorders, Alzheimer's disease; cognition activator HOFFMANN-LA ROCHE INC. 2006-06-15 — — 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-20060128713-A1 (6-Chloro-3,4-dihydro-1H-benzo[4,5]thieno[2,3-c]pyridin-2-yl)-(2-isopropoxy-5-methanesulfonyl-phenyl)-methanone; glyicne transporter 1 (GlyT-1) and N-methyl-D-aspartate (NMDA) receptors inhibitor; psychoses, schizophrenia, attention deficit disorders, Alzheimer's disease; cognition activator GRIN1, GRIA1, GRM1 TSHR 2023/4885SLC6A9 57/4885HTT 531/4885

“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.