SCHEMBL3077440

SCHEMBL3077440

CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC(O)CC1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.62
KCNH2 Q12809 4/20 0.57

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
SCHEMBL3072470 0.93 SLC6A9 (0.57) SLC6A9KCNH2
SCHEMBL3082386 0.90 SLC6A9 (0.59) SLC6A9KCNH2
SCHEMBL3072467 0.88 SLC6A9 (0.60) SLC6A9KCNH2
SCHEMBL3082389 0.86 SLC6A9 (0.55) SLC6A9KCNH2
SCHEMBL8266637 0.85 SLC6A9 (0.63) SLC6A9KCNH2
SCHEMBL1816145 0.83 CYP2C9 (0.55) SLC6A9KCNH2
SCHEMBL3079674 0.83 SLC6A9 (0.61) SLC6A9KCNH2
SCHEMBL3084130 0.82 SLC6A9 (0.56) SLC6A9KCNH2
SCHEMBL1816692 0.82 SLC6A9 (0.57) SLC6A9KCNH2
SCHEMBL1813067 0.82 SLC6A9 (0.68) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101141959-B 2, 5-disubstituted benzophenone derivatives as glycine transporter 1(GlyT-1) inhibitors for the treatment of neurological and neuropsychiatric disorders HOFFMANN LA ROCHE 2010-12-15 CN disclosed
US-7790763-B2 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
US-7790763-B2 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
US-7790763-B2 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
EP-1843767-B1 2,5-DISUBSTITUTED PHENYL METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS. HOFFMANN LA ROCHE (CH) 2009-07-08 EP disclosed
CN-101141959-A 2, 5-disubstituted benzophenone derivatives as glycine transporter 1 (GlyT-1) inhibitors for the treatment of neurological and neuropsychiatric disorders HOFFMANN LA ROCHE (CH) 2008-03-12 CN disclosed
EP-1843767-A1 2,5-DISUBSTITUTED PHENYL METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS. F. Hoffmann-Roche AG (CH) 2007-10-17 EP disclosed
WO-2006077026-A1 2, 5-DISUBSTITUTED PHENYL METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-I) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRY DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-27 WO disclosed
US-20060160788-A1 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 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-20060160788-A1 Substituted phenyl methanone derivatives SLC6A5, SLC6A1, SLC1A1 SLC6A9 18/4885KCNH2 1806/4885

“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.