SCHEMBL1812205

SCHEMBL1812205

C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)C1)C(F)(F)F

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.86
KCNH2 Q12809 6/20 0.86
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
SCHEMBL14683874 0.91 SLC6A9 (0.72) SLC6A9KCNH2SLC6A5
SCHEMBL8231084 0.85 SLC6A9 (0.69) SLC6A9KCNH2SLC6A5
SCHEMBL1811218 0.85 SLC6A9 (0.69) SLC6A9KCNH2SLC6A5
SCHEMBL1812692 0.85 SLC6A9 (0.69) SLC6A9KCNH2SLC6A5
SCHEMBL1813500 0.85 SLC6A9 (0.64) SLC6A9KCNH2SLC6A5
SCHEMBL1813067 0.84 SLC6A9 (0.68) SLC6A9KCNH2SLC6A5
SCHEMBL1814600 0.84 SLC6A9 (0.67) SLC6A9KCNH2SLC6A5
SCHEMBL1809793 0.83 SLC6A9 (0.64) SLC6A9KCNH2SLC6A5
SCHEMBL8227085 0.83 SLC6A9 (0.64) SLC6A9KCNH2SLC6A5
SCHEMBL8230080 0.83 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951836-B2 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-31 US claimed
JP-2009541251-A 2009-11-26 JP claimed
EP-2035371-A2 SUBSTITUTED PHENYL METHANONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-18 EP claimed
US-20070299071-A1 Substituted phenyl methanone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 US claimed
WO-2007147770-A2 SUBSTITUTED PHENYL METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO claimed
US-20140121362-A1 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES MICHIGAN DIAGNOSTICS, LLC (US) 2014-05-01 US disclosed
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

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-20070299071-A1 Substituted phenyl methanone derivatives CYP11B1, CYP11B2, MC2R SLC6A9 796/4885KCNH2 666/4885SLC6A5 359/4885
US-20140121362-A1 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES DUOX1, XDH, MPO SLC6A9 2644/4885KCNH2 3869/4885SLC6A5 2099/4885

“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.