Sugi Predict

Sugi Predict / Compounds / SCHEMBL4808115

SCHEMBL4808115

SCHEMBL4808115

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.38
▸ TSHR P16473 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ LSS P48449 9/20 0.37
▸ 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
▸ 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
▸ ALDH1A1 P00352 1/20 0.35
▸ USP2 O75604 1/20 0.33
▸ CYP1A2 P05177 1/20 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
SCHEMBL4808112 1.00 NPSR1 (0.38) NPSR1TSHRHTTSMN1; SMN2TDP1
SCHEMBL4798692 0.93 LSS (0.36) NPSR1LSSMMP1MMP3MMP7
SCHEMBL4798697 0.93 LSS (0.36) NPSR1LSSMMP1MMP3MMP7
SCHEMBL4806576 0.90 PSEN1 (0.39) NPSR1TSHRHTTSMN1; SMN2TDP1
SCHEMBL4806586 0.90 PSEN1 (0.39) NPSR1TSHRHTTSMN1; SMN2TDP1
SCHEMBL4797952 0.89 LSS (0.46) LSSMMP1MMP3MMP7MMP9
SCHEMBL4797959 0.89 LSS (0.46) LSSMMP1MMP3MMP7MMP9
SCHEMBL4799217 0.88 LSS (0.47) NPSR1TSHRHTTSMN1; SMN2TDP1
SCHEMBL4799208 0.88 LSS (0.47) NPSR1TSHRHTTSMN1; SMN2TDP1
SCHEMBL4804519 0.85 AVPR1B (0.36) LSSPSEN1PSEN2APH1BNCSTN

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
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 NPSR1 3914/4885TSHR 4271/4885HTT 3733/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 NPSR1 3914/4885TSHR 4271/4885HTT 3733/4885

“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.