SCHEMBL19448804

SCHEMBL19448804

CC(C)(C)OC(=O)ON(Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.48
AKT1 P31749 3/20 0.47
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC3 O15379 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
CTSS P25774 2/20 0.42
RIPK1 Q13546 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL18763338 0.87 HDAC6 (0.40) L3MBTL1AKT1HDAC1HDAC2HDAC3
SCHEMBL18763349 0.85 RIPK1 (0.43) HDAC1HDAC2HDAC3NCOR2CTSS
SCHEMBL5716073 0.85 HDAC6 (0.39) L3MBTL1HDAC1HDAC2HDAC3NCOR2
SCHEMBL18763347 0.85 MT-CO2 (0.41) L3MBTL1HDAC1HDAC2HDAC3NCOR2
SCHEMBL15659860 0.84 L3MBTL1 (0.47) L3MBTL1HDAC1HDAC2HDAC6MEN1
SCHEMBL23819882 0.81 RIPK1 (0.47) L3MBTL1HDAC1HDAC2CTSSRIPK1
SCHEMBL5716432 0.81 NR1D1 (0.48)
SCHEMBL2439436 0.80 L3MBTL1 (0.45) L3MBTL1AKT1HDAC1HDAC2HDAC3
SCHEMBL3819098 0.79 AKT1 (0.52) L3MBTL1AKT1HDAC1HDAC2HDAC3
SCHEMBL18740589 0.79 AKT1 (0.38) AKT1HDAC1HDAC2HDAC3NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10682319-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-06-16 US disclosed
US-9974762-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-05-22 US disclosed
US-9974762-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-05-22 US disclosed
US-20170290790-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2017-10-12 US disclosed
US-20170290790-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2017-10-12 US 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-10682319-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 L3MBTL1 3530/4885AKT1 789/4885HDAC1 267/4885
US-20170290790-A1 Necrosis Inhibitors RIPK3, RIPK1, RIPK4 L3MBTL1 2892/4885AKT1 643/4885HDAC1 234/4885

“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.