Sugi Predict

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SCHEMBL5139751

SCHEMBL5139751

CN(C)CCCOc1ccc2c(c1)S(=O)(=O)C=C2c1ccc(Br)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 5/20 0.69
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CXCR1 P25024 2/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ PDK2 Q15119 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL5139412 0.96 LSS (0.74) LSSALDH1A1MAPTKMT2AKDM4E
SCHEMBL5140795 0.88 LSS (0.69) LSSHRH3TLR7
SCHEMBL5140477 0.88 LSS (0.69) LSSALDH1A1
SCHEMBL5039826 0.86 LSS (0.64) LSSMAPTSMN1; SMN2
SCHEMBL5139938 0.86 LSS (0.92) LSSKMT2A
SCHEMBL5039913 0.85 LSS (0.66) LSS
SCHEMBL5140234 0.85 LSS (0.74) LSSALDH1A1
SCHEMBL5140894 0.85 LSS (0.74) LSS
SCHEMBL5140276 0.84 LSS (0.59) LSSMAPTKMT2AKDM4EHRH3
SCHEMBL5139826 0.83 LSS (0.98) LSSKMT2A

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 1/4885ALDH1A1 2721/4885MAPT 4822/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 LSS 1/4885ALDH1A1 3430/4885MAPT 4798/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 LSS 1/4885ALDH1A1 3430/4885MAPT 4798/4885

“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.