SCHEMBL4804112

SCHEMBL4804112

CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](C=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
ASGR1 P07306 1/20 0.34
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
PDE10A Q9Y233 1/20 0.30
KAT6A Q92794 1/20 0.30
KAT8 Q9H7Z6 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL4803692 1.00 HSD11B1 (0.40) HSD11B1ASGR1JAK2JAK1JAK3
SCHEMBL190837 0.88 HSD11B1 (0.47) HSD11B1ASGR1JAK2JAK1JAK3
SCHEMBL24622292 0.85 HSD11B1 (0.41) HSD11B1ASGR1KDM4D
Formic Acid SCHEMBL27813341 0.83 HSD11B1 (0.42) HSD11B1ASGR1JAK2JAK1JAK3
SCHEMBL4797728 0.83 HSD11B1 (0.38) HSD11B1ASGR1KDM4D
SCHEMBL4797721 0.83 HSD11B1 (0.38) HSD11B1ASGR1KDM4D
SCHEMBL4938252 0.83 HSD11B1 (0.41) HSD11B1ASGR1KDM4DKAT8
SCHEMBL28804053 0.82 HSD11B1 (0.44) HSD11B1ASGR1JAK2JAK1JAK3
SCHEMBL28804055 0.82 HSD11B1 (0.44) HSD11B1ASGR1JAK2JAK1JAK3
SCHEMBL228179 0.82 HSD11B1 (0.46) HSD11B1ASGR1KDM4DPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954219-B2 1,3-benzodioxole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-03-23 US disclosed
US-20180282313-A1 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-10-04 US disclosed
US-10017500-B2 1,3-benzodioxole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-07-10 US disclosed
US-20170073335-A1 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-03-16 US disclosed
EP-3121175-A1 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-01-25 EP disclosed
WO-2008093946-A1 POLARIZING PLATE HAVING PRESSURE-SENSITIVE ADHESIVE LAYER WITH IMPROVED LIGHT LEAKAGE PROPERTY LG CHEM, LTD. (KR) 2008-08-07 WO disclosed
EP-1311475-B1 AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-06 EP disclosed
WO-2008088115-A1 ACRYLIC PRESSURE SENSITIVE ADHESIVE COMPOSITIONS LG CHEM, LTD. (KR) 2008-07-24 WO disclosed
US-7335687-B2 2,3-Oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2008-02-26 US disclosed
EP-1458683-B1 HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-11-22 EP disclosed
US-7012077-B2 Substituted cyclohexane derivatives HOFFMANN-LA ROCHE INC. (US) 2006-03-14 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-1458683-A1 HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2004-09-22 EP disclosed
US-20030186984-A1 Substituted cyclohexane derivatives HOFFMAN-LA ROCHE INC. 2003-10-02 US disclosed
WO-2003053933-A1 HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2003-07-03 WO 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 (7 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-20180282313-A1 1,3-BENZODIOXOLE DERIVATIVE EZH1, EZH2, BMI1 HSD11B1 294/4885ASGR1 4175/4885JAK2 62/4885
US-20170073335-A1 1,3-BENZODIOXOLE DERIVATIVE EZH1, EZH2, BMI1 HSD11B1 294/4885ASGR1 4175/4885JAK2 62/4885
US-20030186984-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 HSD11B1 19/4885ASGR1 1121/4885JAK2 3542/4885
US-10017500-B2 1,3-benzodioxole derivative EZH1, EZH2, BMI1 HSD11B1 294/4885ASGR1 4175/4885JAK2 62/4885
US-10954219-B2 1,3-benzodioxole derivative EZH1, EZH2, BMI1 HSD11B1 294/4885ASGR1 4175/4885JAK2 62/4885
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 HSD11B1 14/4885ASGR1 1643/4885JAK2 3858/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 HSD11B1 14/4885ASGR1 1643/4885JAK2 3858/4885

“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.