SCHEMBL1816145

SCHEMBL1816145

CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.55
CYP2C19 P33261 4/20 0.55
MAPK14 Q16539 4/20 0.55
SLC6A9 P48067 7/20 0.55
HTR2B P41595 2/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HTT P42858 2/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
KCNH2 Q12809 1/20 0.51
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49

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
SCHEMBL1814610 0.94 SLC6A9 (0.53) CYP2C9CYP2C19MAPK14SLC6A9HTR2B
SCHEMBL1813353 0.86 SLC6A9 (0.54) SLC6A9KCNH2
SCHEMBL1814913 0.85 SLC6A9 (0.50) SLC6A9KCNH2
SCHEMBL1811913 0.85 SLC6A9 (0.54) MAPK14SLC6A9KCNH2
SCHEMBL1813763 0.85 SLC6A9 (0.51) SLC6A9KCNH2
SCHEMBL3077440 0.83 SLC6A9 (0.62) SLC6A9KCNH2
SCHEMBL1812937 0.83 SLC6A9 (0.68) SLC6A9KCNH2
SCHEMBL1816692 0.81 SLC6A9 (0.57) SLC6A9KCNH2
SCHEMBL3082386 0.81 SLC6A9 (0.59) SLC6A9KCNH2
SCHEMBL3072470 0.79 SLC6A9 (0.57) 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 8 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
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 (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 CYP2C9 169/4885CYP2C19 16/4885MAPK14 3345/4885

“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.