SCHEMBL5133365

SCHEMBL5133365

CCN(CCO)CCCCc1ccc2c(c1)S(=O)(=O)C(C)=C2c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.39
TRPV1 Q8NER1 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
MTTP P55157 1/20 0.33
LMNA P02545 1/20 0.32
SCN9A Q15858 1/20 0.31
BCHE P06276 1/20 0.31
KCNH2 Q12809 3/20 0.31
PLA2G7 Q13093 1/20 0.31

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
SCHEMBL5131020 0.97 LSS (0.37) LSSTRPV1PSEN1PSEN2APH1B
SCHEMBL5140243 0.85 LSS (0.41) LSSSCN9A
SCHEMBL5132928 0.82 LSS (0.43) LSSLMNASCN9AKCNH2
SCHEMBL5133980 0.82 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5133406 0.81 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5139913 0.80 ATP4A (0.37) LSS
SCHEMBL5131094 0.80 MAOB (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5132869 0.80 MAOB (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5132911 0.80 LSS (0.39) LSSPSEN1PSEN2APH1BNCSTN
SCHEMBL6870819 0.79 HDAC1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449483-B2 Heteroaromate OSC inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-11-11 US disclosed
US-20070099985-A1 Heteroaromate OSC inhibitors AEBI JOHANNES 2007-05-03 US disclosed
US-7173043-B2 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders HOFFMANN-LA ROCHE INC. (US) 2007-02-06 US disclosed
US-20050267200-A1 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders AEBI JOHANNES 2005-12-01 US disclosed
US-6951879-B2 Substituted benzo(b)thiophenes or benzoisothiazoles which inhibit 2,3-oxidosqualene-lanosterol cyclase which is required for the biosynthesis of cholesterol, ergosterol and other sterols HOFFMANN-LA ROCHE INC. (US) 2005-10-04 US disclosed
EP-1334094-B1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES HOFFMANN LA ROCHE (CH) 2004-12-29 EP disclosed
US-20020086891-A1 Heteroaromate OSC inhibitors HOFFMAN-LA ROCHE INC. 2002-07-04 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 (3 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-20050267200-A1 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders LSS, CYP51A1, CYP46A1 LSS 1/4885TRPV1 4050/4885PSEN1 4135/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 LSS 1/4885TRPV1 4425/4885PSEN1 3834/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 LSS 1/4885TRPV1 4425/4885PSEN1 3834/4885

“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.