SCHEMBL5043626

SCHEMBL5043626

CCN(CC)CC#Cc1ccc2c(-c3ccc(C(F)(F)F)cc3)c(C)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 2/20 0.42
▸ KCNH2 Q12809 3/20 0.37
▸ ESR1 P03372 1/20 0.34
▸ KIF11 P52732 1/20 0.31
▸ CHEK1 O14757 1/20 0.30
▸ IKBKB O14920 1/20 0.30
▸ MAP4K4 O95819 1/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ RPS6KB1 P23443 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ MARK3 P27448 1/20 0.30
▸ AKT1 P31749 1/20 0.30
▸ AKT2 P31751 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ RPS6KA3 P51812 1/20 0.30
▸ PLK1 P53350 1/20 0.30
▸ PRKAA1 Q13131 1/20 0.30
▸ STK3 Q13188 1/20 0.30
▸ MELK Q14680 1/20 0.30
▸ MARK2 Q7KZI7 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
SCHEMBL5040168 0.92 LSS (0.53) LSSKCNH2ESR1
SCHEMBL5038830 0.89 LSS (0.45) LSSKCNH2ESR1
SCHEMBL7144742 0.87 ESR1 (0.35) LSSESR1KIF11
SCHEMBL5037999 0.86 LSS (0.34) LSSKCNH2ESR1
SCHEMBL5045659 0.85 ESR1 (0.38) LSSESR1KIF11MELK
SCHEMBL5038989 0.85 ESR1 (0.36) ESR1KIF11
SCHEMBL5038033 0.85 LSS (0.54) LSSKCNH2ESR1
SCHEMBL5045748 0.83 ESR1 (0.37) LSSESR1
SCHEMBL5039978 0.83 ESR1 (0.32) LSSESR1
SCHEMBL7152269 0.83 ESR1 (0.38) ESR1KIF11

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 LSS 1/4885KCNH2 3128/4885ESR1 2592/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 LSS 1/4885KCNH2 3950/4885ESR1 1155/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 LSS 1/4885KCNH2 3950/4885ESR1 1155/4885

“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.

Send feedback