SCHEMBL20488494

SCHEMBL20488494

CCn1c(=O)n(C)c(=O)c2c1nc(S(C)(=O)=O)n2C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 1/20 0.49
TSHR P16473 1/20 0.47
ADORA2A P29274 4/20 0.43
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
ADORA2B P29275 1/20 0.43
MAPK1 P28482 1/20 0.42
ADORA1 P30542 1/20 0.40
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL21602438 0.90 ADORA2A (0.52) MLKLADORA2APDE4APDE4BPDE4C
SCHEMBL21602443 0.88 MLKL (0.49) MLKLTSHRADORA2APDE4APDE4B
SCHEMBL21602517 0.83 ADORA2B (0.54) MLKLADORA2B
SCHEMBL21602536 0.83 MLKL (0.45) MLKLTSHRADORA2APDE4APDE4B
SCHEMBL21602606 0.82 MLKL (0.58) MLKLADORA2AADORA2BMAPK1L3MBTL1
SCHEMBL21602439 0.82 PDE4D (0.55) MLKLADORA2APDE4APDE4BPDE4C
SCHEMBL20488686 0.82 MLKL (0.66) MLKLTSHRMAPK1HTTL3MBTL1
SCHEMBL21602430 0.81 MLKL (0.51) MLKLADORA2APDE4APDE4BPDE4C
SCHEMBL28344101 0.81 MLKL (0.41) MLKLTSHRADORA2APDE4APDE4B
SCHEMBL20488041 0.80 HPGD (0.66) TSHRMAPK1HTTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 US disclosed
US-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 US disclosed
US-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 US disclosed
CN-110573509-B MLKL inhibitors 北京生命科学研究所 2023-05-26 CN disclosed
US-11090307-B2 Treating male senescence NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-08-17 US disclosed
US-20200046714-A1 Treating Male Senescence NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-02-13 US disclosed
WO-2019242576-A1 TREATING DEMYELINATING DISEASE NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-12-26 WO disclosed
CN-110573509-A MLKL inhibitors 北京生命科学研究所 2019-12-13 CN disclosed
WO-2018157800-A1 MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-09-07 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-11090307-B2 Treating male senescence RIPK3, RIPK1, MLKL MLKL 3/4885TSHR 4353/4885ADORA2A 3563/4885
US-20200046714-A1 Treating Male Senescence RIPK3, RIPK1, MLKL MLKL 3/4885TSHR 4353/4885ADORA2A 3563/4885
US-11666577-B2 MLKL inhibitors MLKL, CMKLR1, PCSK9 MLKL 1/4885TSHR 4699/4885ADORA2A 4249/4885

“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.