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Sugi Predict / Compounds / SCHEMBL5139846

SCHEMBL5139846

SCHEMBL5139846

O=S1(=O)N=C(c2ccc(C(F)(F)F)cc2)c2ccc(OCCCCN(CCO)CCO)cc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 5/20 0.49
▸ ATP4A P20648 2/20 0.38
▸ ATP4B P51164 2/20 0.38
▸ AGER Q15109 1/20 0.36
▸ PDE10A Q9Y233 2/20 0.34
▸ KCNA3 P22001 2/20 0.33
▸ LTB4R Q15722 1/20 0.33
▸ PDK2 Q15119 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ PPARD Q03181 1/20 0.32

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
SCHEMBL5140189 0.94 LSS (0.49) LSSATP4AATP4BAGERSCN9A
SCHEMBL5139519 0.89 LSS (0.50) LSSATP4AATP4BAGER
SCHEMBL5139362 0.87 LSS (0.54) LSSATP4AATP4BPDK2
SCHEMBL5038200 0.86 LSS (0.47) LSSATP4AATP4BPDE10APPARG
SCHEMBL5140426 0.82 LSS (0.51) LSSAGER
SCHEMBL5140896 0.82 LSS (0.61) LSS
SCHEMBL5140900 0.81 LSS (0.71) LSS
SCHEMBL5139913 0.80 ATP4A (0.37) LSSATP4AATP4BAGERLTB4R
SCHEMBL5045359 0.79 TLR9 (0.48) LSS
SCHEMBL5140784 0.79 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 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 1/4885ATP4A 3933/4885ATP4B 4638/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 LSS 1/4885ATP4A 4330/4885ATP4B 4729/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 LSS 1/4885ATP4A 4330/4885ATP4B 4729/4885

“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.