SCHEMBL5035354

SCHEMBL5035354

CS(=O)(=O)OCC#Cc1ccc2c(-c3ccc(C(F)(F)F)cc3)nsc2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 5/20 0.46
SCN9A Q15858 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
ALDH2 P05091 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
KIT P10721 1/20 0.31
KIF11 P52732 1/20 0.30
PTGS2 P35354 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
PPARD Q03181 1/20 0.30

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
SCHEMBL5038611 0.89 LSS (0.47) LSSSCN9APTGDR2
SCHEMBL5038631 0.87 LSS (0.46) LSSPTGDR2ALDH2PTGS2
SCHEMBL5035438 0.87 LSS (0.57) LSSALDH2
SCHEMBL5040354 0.81 LSS (0.58) LSSMKNK1MKNK2
SCHEMBL5038769 0.81 LSS (0.54) LSSTRPV1FFAR4KIF11MKNK1
SCHEMBL5039973 0.80 ESR1 (0.34) PTGDR2ALDH2KIF11PTGS2
SCHEMBL5038283 0.80 LSS (0.53) LSSFFAR4KIF11MKNK1MKNK2
SCHEMBL7151986 0.79 LSS (0.47) LSSTRPV1KIF11MKNK1MKNK2
SCHEMBL7165185 0.79 LSS (0.48) LSSTRPV1FFAR4KIF11MKNK1
SCHEMBL5038562 0.78 LSS (0.55) LSSMKNK1MKNK2

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 11 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
CN-1261429-C Cholesterol lowering benzo [ b ] thiophenes and benzo [ d ] isothiazoles HOFFMANN LA ROCHE (CH) 2006-06-28 CN 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
CN-1471522-A Cholesterol lowering benzo [b] thiophenes and benzo[d] isothiazoles - 2004-01-28 CN disclosed
EP-1334094-A1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-13 EP disclosed
US-20020086891-A1 Heteroaromate OSC inhibitors HOFFMAN-LA ROCHE INC. 2002-07-04 US disclosed
WO-2002036584-A1 CHOLESTEROL LOWERING BENZO`B! THIOPHENES AND BENZO`D! ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-10 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 (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 1/4885SCN9A 4489/4885PTGDR2 667/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 LSS 1/4885SCN9A 4746/4885PTGDR2 433/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 LSS 1/4885SCN9A 4746/4885PTGDR2 433/4885

“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.