SCHEMBL4906069

SCHEMBL4906069

CC(C)Sc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.69
KCNH2 Q12809 7/20 0.56
SLC6A5 Q9Y345 2/20 0.56

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
SCHEMBL4910240 0.88 SLC6A9 (0.66) SLC6A9KCNH2SLC6A5
SCHEMBL4903243 0.88 SLC6A9 (0.71) SLC6A9KCNH2SLC6A5
SCHEMBL4914252 0.87 SLC6A9 (0.64) SLC6A9KCNH2SLC6A5
SCHEMBL4911136 0.86 SLC6A9 (0.63) SLC6A9KCNH2SLC6A5
SCHEMBL4910182 0.86 SLC6A9 (0.70) SLC6A9KCNH2SLC6A5
SCHEMBL5040979 0.83 SLC6A9 (0.86) SLC6A9KCNH2SLC6A5
SCHEMBL2827218 0.83 SLC6A9 (0.56) SLC6A9KCNH2SLC6A5
SCHEMBL5042089 0.82 SLC6A9 (1.00) SLC6A9KCNH2SLC6A5
SCHEMBL5037809 0.82 SLC6A9 (1.00) SLC6A9KCNH2SLC6A5
SCHEMBL4429477 0.80 SLC6A9 (0.75) SLC6A9KCNH2SLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287455-A1 SULFANYL SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2008-11-20 US disclosed
US-20080287455-A1 SULFANYL SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2008-11-20 US disclosed
US-20080287455-A1 SULFANYL SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2008-11-20 US disclosed
EP-1836178-A1 SULFANYL SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. Hoffmann-Roche AG (CH) 2007-09-26 EP disclosed
WO-2006072435-A1 SULFANYL SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-13 WO disclosed
US-20060149062-A1 Sulfanyl substituted phenyl methanones F. HOFFMANN-LA ROCHE AG (CH) 2006-07-06 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 (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-20060149062-A1 Sulfanyl substituted phenyl methanones SULT1A1, SULT2A1, SULT1E1 SLC6A9 19/4885KCNH2 2426/4885SLC6A5 4/4885
US-20080287455-A1 SULFANYL SUBSTITUTED PHENYL METHANONES SULT1A1, SULT2A1, SULT1E1 SLC6A9 19/4885KCNH2 2426/4885SLC6A5 4/4885

“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.