SCHEMBL248088

SCHEMBL248088

COC(=O)C(C)(C)CC#N

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 3/20 0.33
PLCG1 P19174 1/20 0.33
CTSS P25774 2/20 0.31
CTSK P43235 2/20 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
SCHEMBL7435863 0.78 MEN1 (0.36) DGAT1MEN1KMT2AMCL1PLCG1
SCHEMBL1316720 0.77 ALDH1A1 (0.37) DGAT1PLCG1
SCHEMBL7442178 0.77 DGAT1 (0.42) DGAT1MEN1KMT2AMCL1PLCG1
SCHEMBL11449724 0.76 DGAT1 (0.35) DGAT1CTSK
SCHEMBL2276930 0.75 MEN1 (0.42) DGAT1MEN1KMT2APLCG1CTSS
SCHEMBL10012666 0.75 MEN1 (0.42) MEN1KMT2A
SCHEMBL16329049 0.74 DGAT1 (0.34) DGAT1MEN1KMT2APLCG1
SCHEMBL21772025 0.74 MEN1 (0.36) DGAT1MEN1KMT2AMCL1
SCHEMBL18070813 0.74 DGAT1 (0.34) DGAT1PLCG1
SCHEMBL21408147 0.74 MEN1 (0.33) DGAT1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602809-B Isoxazolidine derived inhibitors of receptor interacting protein kinase 1(RIPK 1) 戴纳立制药公司 2022-09-30 CN disclosed
US-10709692-B2 Isoxazolidine derived inhibitors of receptor interacting protein kinase 1 (RIPK1) DENALI THERAPEUTICS INC. (US) 2020-07-14 US disclosed
US-10709692-B2 Isoxazolidine derived inhibitors of receptor interacting protein kinase 1 (RIPK1) DENALI THERAPEUTICS INC. (US) 2020-07-14 US disclosed
US-20180353480-A1 ISOXAZOLIDINE DERIVED INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE 1 (RIPK1) APTUIT (VERONA) S.R.L. (IT) 2018-12-13 US disclosed
CN-108602809-A Inhibitors of isoxazolidine derived receptor interacting protein kinase 1(RIPK 1) 戴纳立制药公司 2018-09-28 CN disclosed
WO-2017096301-A1 ISOXAZOLIDINE DERIVED INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE 1 (RIPK 1) DENALI THERAPEUTICS INC. (US) 2017-06-08 WO disclosed
EP-2588471-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 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 (3 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-20180353480-A1 ISOXAZOLIDINE DERIVED INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE 1 (RIPK1) RIPK1, RIPK2, RIPK3 DGAT1 2232/4885MEN1 4782/4885KMT2A 4456/4885
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 DGAT1 2854/4885MEN1 1146/4885KMT2A 679/4885
US-10709692-B2 Isoxazolidine derived inhibitors of receptor interacting protein kinase 1 (RIPK1) RIPK1, RIPK2, RIPK3 DGAT1 2232/4885MEN1 4782/4885KMT2A 4456/4885

“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.