SCHEMBL20489178

SCHEMBL20489178

Cn1c(=O)c2c(nc(S(C)(=O)=O)n2CCO)n(C)c1=O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 1/20 0.63
TSHR P16473 2/20 0.51
ALDH1A1 P00352 3/20 0.47
RXFP1 Q9HBX9 2/20 0.47
LMNA P02545 3/20 0.47
ADORA2B P29275 1/20 0.47
HTT P42858 1/20 0.46
USP2 O75604 2/20 0.46
MAPK1 P28482 2/20 0.46
RECQL P46063 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
TP53 P04637 1/20 0.45
PCSK9 Q8NBP7 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL21602569 0.87 MLKL (0.68) MLKLTSHRALDH1A1RXFP1LMNA
SCHEMBL20488686 0.85 MLKL (0.66) MLKLTSHRALDH1A1RXFP1HTT
SCHEMBL21602480 0.84 MLKL (0.77) MLKLTSHRALDH1A1RXFP1LMNA
SCHEMBL21602440 0.82 MLKL (0.59) MLKLTSHRALDH1A1RXFP1LMNA
SCHEMBL21602576 0.81 MLKL (0.60) MLKLTSHRALDH1A1RXFP1ADORA2B
SCHEMBL21602606 0.80 MLKL (0.58) MLKLALDH1A1RXFP1ADORA2BMAPK1
SCHEMBL25522729 0.78 CYP1A2 (0.71) TSHRALDH1A1RXFP1LMNAADORA2B
SCHEMBL25522728 0.75 HTT (0.52) TSHRALDH1A1RXFP1LMNAADORA2B
SCHEMBL20488039 0.75 CYP2C19 (0.47) MLKLTSHRRXFP1LMNAADORA2B
SCHEMBL20489190 0.74 TSHR (0.61) MLKLTSHRHTTUSP2MAPK1

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 4353/4885ALDH1A1 2786/4885
US-20200046714-A1 Treating Male Senescence RIPK3, RIPK1, MLKL MLKL 3/4885TSHR 4353/4885ALDH1A1 2786/4885
US-11666577-B2 MLKL inhibitors MLKL, CMKLR1, PCSK9 MLKL 1/4885TSHR 4699/4885ALDH1A1 4376/4885

“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.