SCHEMBL5140276

SCHEMBL5140276

CCN(CCO)CCCOc1ccc2c(c1)S(=O)(=O)C=C2c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LSS P48449 5/20 0.59
MAOB P27338 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.38
CHRNA7 P36544 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
ALK Q9UM73 1/20 0.36

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
SCHEMBL5140288 0.97 LSS (0.63) LSSMAOBMAPTCHRNA7KMT2A
SCHEMBL5140477 0.88 LSS (0.69) LSS
SCHEMBL5140234 0.84 LSS (0.74) LSS
SCHEMBL5139751 0.84 LSS (0.69) LSSKDM4EMAPTKMT2AHRH3
SCHEMBL5140784 0.83 LSS (0.58) LSSMAOBKDM4EMAPTCHRNA7
SCHEMBL5039826 0.82 LSS (0.64) LSSMAOBMAPT
SCHEMBL5039913 0.81 LSS (0.66) LSSMAOB
SCHEMBL5139412 0.81 LSS (0.74) LSSMAOBKDM4EMAPTKMT2A
SCHEMBL5139757 0.81 LSS (0.54) LSSMAOBMAPTCHRNA7KMT2A
SCHEMBL5140896 0.81 LSS (0.61) LSSMAOBMAPTCHRNA7KMT2A

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 1/4885MAOB 1536/4885KDM4E 4319/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 LSS 1/4885MAOB 1970/4885KDM4E 4519/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 LSS 1/4885MAOB 1970/4885KDM4E 4519/4885

“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.