SCHEMBL4805367

SCHEMBL4805367

CN(C(=O)OC(C)(C)C)C1CCC(CCC(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.38
LSS P48449 4/20 0.35
ASGR1 P07306 1/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
JAK3 P52333 1/20 0.34
KAT6A Q92794 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34
KDM5A P29375 1/20 0.34
KDM7A Q6ZMT4 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CYP3A4 P08684 1/20 0.32
TACR1 P25103 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
SCHEMBL4803405 0.90 KDM5A (0.43) HSD11B1LSSKAT6AKAT8KDM5A
SCHEMBL4803398 0.90 KDM5A (0.43) HSD11B1LSSKAT6AKAT8KDM5A
SCHEMBL992656 0.86 HSD11B1 (0.39) HSD11B1LSSASGR1JAK2JAK1
SCHEMBL992655 0.86 HSD11B1 (0.39) HSD11B1LSSASGR1JAK2JAK1
SCHEMBL7817060 0.84 HSD11B1 (0.40) HSD11B1LSSASGR1JAK2JAK1
SCHEMBL190837 0.83 HSD11B1 (0.47) HSD11B1ASGR1JAK2JAK1JAK3
SCHEMBL23568153 0.83 HSD11B1 (0.39) HSD11B1LSSASGR1JAK2JAK1
SCHEMBL23696903 0.83 HSD11B1 (0.39) HSD11B1LSSASGR1JAK2JAK1
SCHEMBL23539527 0.83 HSD11B1 (0.39) HSD11B1LSSASGR1JAK2JAK1
SCHEMBL24449608 0.83 HSD11B1 (0.40) HSD11B1LSSASGR1JAK2JAK1

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 HSD11B1 14/4885LSS 2/4885ASGR1 1643/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 HSD11B1 14/4885LSS 2/4885ASGR1 1643/4885

“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.