SCHEMBL4797308

SCHEMBL4797308

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.42
CTSK P43235 4/20 0.39
CTSS P25774 3/20 0.39
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
JAK3 P52333 2/20 0.36
DPP4 P27487 2/20 0.35
CTSD P07339 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
ASGR1 P07306 1/20 0.34
KAT6A Q92794 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TYK2 P29597 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
LSS P48449 1/20 0.31

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
SCHEMBL23696902 1.00 HSD11B1 (0.42) HSD11B1CTSKCTSSJAK2JAK1
SCHEMBL4797314 1.00 HSD11B1 (0.42) HSD11B1CTSKCTSSJAK2JAK1
SCHEMBL5761307 0.83 HSD11B1 (0.36) HSD11B1JAK2JAK1JAK3ASGR1
SCHEMBL5761309 0.83 HSD11B1 (0.36) HSD11B1JAK2JAK1JAK3ASGR1
SCHEMBL190837 0.82 HSD11B1 (0.47) HSD11B1JAK2JAK1JAK3ASGR1
SCHEMBL23696267 0.81 NR1H2 (0.43) HSD11B1CTSKCTSSJAK2JAK1
SCHEMBL4805517 0.81 NR1H2 (0.43) HSD11B1CTSKCTSSJAK2JAK1
SCHEMBL24448742 0.81 HSD11B1 (0.40) HSD11B1CTSKCTSSJAK2JAK1
SCHEMBL343692 0.81 NR1H2 (0.43) HSD11B1CTSKCTSSJAK2JAK1
SCHEMBL24449604 0.81 HSD11B1 (0.40) HSD11B1CTSKCTSSJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779578-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11779578-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11707457-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-07-25 US disclosed
US-20230144292-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-11 US disclosed
US-20210228562-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-07-29 US disclosed
WO-2021127190-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
CN-103282025-B Melt-extruded solid dispersions containing apoptosis-inducing agents 艾伯维爱尔兰无限公司 2018-01-02 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 (6 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-20210228562-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HSD11B1 2834/4885CTSK 529/4885CTSS 1155/4885
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 HSD11B1 14/4885CTSK 1903/4885CTSS 1462/4885
US-11779578-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 HSD11B1 2834/4885CTSK 529/4885CTSS 1155/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 HSD11B1 14/4885CTSK 1903/4885CTSS 1462/4885
US-11707457-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 HSD11B1 2834/4885CTSK 529/4885CTSS 1155/4885
US-20230144292-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HSD11B1 2834/4885CTSK 529/4885CTSS 1155/4885

“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.