SCHEMBL5045734

SCHEMBL5045734

O=S(=O)(Oc1ccc2c(-c3ccc(C(F)(F)F)cc3)nsc2c1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ KIF11 P52732 1/20 0.42
▸ CA9 Q16790 1/20 0.38
▸ LSS P48449 7/20 0.36
▸ PIK3CA P42336 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ PPARD Q03181 2/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ ENPP3 O14638 1/20 0.35
▸ ENPP1 P22413 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ MAP2K4 P45985 2/20 0.34
▸ MAPK6 Q16659 2/20 0.34
▸ MAPKAPK3 Q16644 1/20 0.34
▸ MAPKAPK5 Q8IW41 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ PPARG P37231 1/20 0.34

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
SCHEMBL27544469 0.89 KIF11 (0.41) CA1CA2KIF11CA9LSS
SCHEMBL5045363 0.88 CA1 (0.42) CA1CA2LSSFFAR4
SCHEMBL5043268 0.88 LSS (0.47) CA1CA2CA9LSS
SCHEMBL5038320 0.82 PIK3CA (0.47) LSSPIK3CAMKNK1MKNK2PPARD
SCHEMBL7148486 0.75 LSS (0.49) LSSMKNK1MKNK2FFAR4PPARD
SCHEMBL5035448 0.75 LSS (0.54) LSSPPARDPPARAMAOB
SCHEMBL5037998 0.75 MAPK1 (0.49) KIF11MKNK1MKNK2FFAR4MAPK1
SCHEMBL5045582 0.75 CA1 (0.41) CA1CA2KIF11CA9PPARD
SCHEMBL26549580 0.73 KIF11 (0.71) CA1CA2KIF11CA9PPARD
SCHEMBL5039022 0.73 LSS (0.58) LSS

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 9 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
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 CA1 2066/4885CA2 1000/4885KIF11 4807/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 CA1 3753/4885CA2 3419/4885KIF11 4751/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 CA1 3753/4885CA2 3419/4885KIF11 4751/4885

“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.

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