SCHEMBL1813067

SCHEMBL1813067

C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC(O)C1)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.68
KCNH2 Q12809 3/20 0.66
SLC6A5 Q9Y345 2/20 0.62

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
SCHEMBL14748342 0.92 SLC6A9 (0.58) SLC6A9KCNH2SLC6A5
SCHEMBL3078411 0.92 SLC6A9 (0.74) SLC6A9KCNH2SLC6A5
SCHEMBL3077428 0.92 SLC6A9 (0.74) SLC6A9KCNH2SLC6A5
SCHEMBL3072470 0.89 SLC6A9 (0.57) SLC6A9KCNH2SLC6A5
SCHEMBL1813164 0.87 SLC6A9 (0.65) SLC6A9KCNH2SLC6A5
SCHEMBL8229318 0.87 SLC6A9 (0.65) SLC6A9KCNH2SLC6A5
SCHEMBL14683684 0.87 SLC6A9 (0.65) SLC6A9KCNH2SLC6A5
SCHEMBL14683682 0.87 SLC6A9 (0.65) SLC6A9KCNH2SLC6A5
SCHEMBL14683711 0.87 SLC6A9 (0.64) SLC6A9KCNH2SLC6A5
SCHEMBL14683592 0.87 SLC6A9 (0.64) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035371-B1 SUBSTITUTED PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYT1 AND GLYT2 RECEPTOR INHIBITORS HOFFMANN LA ROCHE (CH) 2013-03-06 EP disclosed
US-7951836-B2 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-31 US disclosed
US-7951836-B2 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-31 US disclosed
US-7951836-B2 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-31 US disclosed
EP-2035371-A2 SUBSTITUTED PHENYL METHANONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-18 EP disclosed
US-20070299071-A1 Substituted phenyl methanone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 US disclosed
US-20070299071-A1 Substituted phenyl methanone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 US disclosed
US-20070299071-A1 Substituted phenyl methanone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 US disclosed
WO-2007147770-A2 SUBSTITUTED PHENYL METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO disclosed
WO-2007147770-A2 SUBSTITUTED PHENYL METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO 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-20070299071-A1 Substituted phenyl methanone derivatives CYP11B1, CYP11B2, MC2R SLC6A9 796/4885KCNH2 666/4885SLC6A5 359/4885

“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.