SCHEMBL5040168

SCHEMBL5040168

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 4/20 0.53
▸ KCNH2 Q12809 3/20 0.38
▸ ESR1 P03372 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ SCN9A Q15858 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.30
▸ ITGB3 P05106 1/20 0.30
▸ ITGA2B P08514 1/20 0.30
▸ MCHR1 Q99705 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
SCHEMBL5043626 0.92 LSS (0.42) LSSKCNH2ESR1
SCHEMBL5038033 0.91 LSS (0.54) LSSKCNH2ESR1KDM4ELMNA
SCHEMBL5038830 0.85 LSS (0.45) LSSKCNH2ESR1LMNAITGB3
SCHEMBL5045748 0.85 ESR1 (0.37) LSSESR1
SCHEMBL5045659 0.85 ESR1 (0.38) LSSESR1
SCHEMBL5037999 0.83 LSS (0.34) LSSKCNH2ESR1
SCHEMBL5043318 0.83 LSS (0.38) LSSESR1
SCHEMBL5045397 0.82 LSS (0.79) LSSKCNH2KDM4ESCN9ATRPV1
SCHEMBL7144742 0.81 ESR1 (0.35) LSSESR1
SCHEMBL5038989 0.80 ESR1 (0.36) ESR1

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 1/4885KCNH2 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.

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