Sugi Predict

Sugi Predict / Compounds / SCHEMBL4798697

SCHEMBL4798697

SCHEMBL4798697

CCCN([C@H]1CC[C@H](OCCCCCCN(C)CCOC)CC1)S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 9/20 0.36
▸ MMP1 P03956 2/20 0.35
▸ MMP3 P08254 2/20 0.35
▸ MMP7 P09237 2/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ MMP13 P45452 2/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ PSEN1 P49768 2/20 0.35
▸ PSEN2 P49810 2/20 0.35
▸ APH1B Q8WW43 2/20 0.35
▸ NCSTN Q92542 2/20 0.35
▸ APH1A Q96BI3 2/20 0.35
▸ PSENEN Q9NZ42 2/20 0.35
▸ GAA P10253 1/20 0.34
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33

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
SCHEMBL4798692 1.00 LSS (0.36) LSSMMP1MMP3MMP7MMP9
SCHEMBL4808115 0.93 NPSR1 (0.38) LSSMMP1MMP3MMP7MMP9
SCHEMBL4808112 0.93 NPSR1 (0.38) LSSMMP1MMP3MMP7MMP9
SCHEMBL4801644 0.91 PSEN1 (0.41) LSSHTR2AHTR2CALDH1A1NPSR1
SCHEMBL4801651 0.91 PSEN1 (0.41) LSSHTR2AHTR2CALDH1A1NPSR1
SCHEMBL4797959 0.88 LSS (0.46) LSSMMP1MMP3MMP7MMP9
SCHEMBL4797952 0.88 LSS (0.46) LSSMMP1MMP3MMP7MMP9
SCHEMBL4806505 0.85 HTR2A (0.47) LSSHTR2AHTR2CALDH1A1GAA
SCHEMBL4806512 0.85 HTR2A (0.47) LSSHTR2AHTR2CALDH1A1GAA
SCHEMBL4804519 0.84 AVPR1B (0.36) LSSALDH1A1PSEN1PSEN2APH1B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100455566-C Novel derivatives of aminocyclohexane HOFFMANN LA ROCHE (CH) 2009-01-28 — — CN disclosed
EP-1311475-B1 AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-06 — — EP disclosed
US-7335687-B2 2,3-Oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2008-02-26 — — US disclosed
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors ACKERMANN JEAN (CH) 2005-08-11 — — US disclosed
US-6858651-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-02-22 — — US disclosed
EP-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 — — EP disclosed
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 — — US disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 — — 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 (2 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-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885MMP1 2589/4885MMP3 2136/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885MMP1 2589/4885MMP3 2136/4885

“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.