SCHEMBL20488684

SCHEMBL20488684

CCn1c(S(=O)(=O)CC2CC2)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.47
MLKL Q8NB16 1/20 0.46
RXFP1 Q9HBX9 4/20 0.45
HTT P42858 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.42

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
SCHEMBL21602524 0.87 MAOA (0.49) MLKLRXFP1HTTCYP2C19ADORA2A
SCHEMBL20489190 0.85 TSHR (0.61) TSHRMAPK1MLKLHTTL3MBTL1
SCHEMBL21602541 0.82 TSHR (0.57) TSHRMAPK1MLKLRXFP1HTT
SCHEMBL20488686 0.80 MLKL (0.66) TSHRMAPK1MLKLRXFP1HTT
SCHEMBL25204211 0.74 ADORA2B (0.47) ADORA2AADORA2BADORA1
SCHEMBL21602575 0.73 HTT (0.64) TSHRMAPK1RXFP1HTTL3MBTL1
SCHEMBL21602507 0.72 KMT2A (0.53) TSHRMAPK1MLKLRXFP1L3MBTL1
SCHEMBL21602569 0.70 MLKL (0.68) TSHRMAPK1MLKLRXFP1HTT
SCHEMBL25239535 0.69 TSHR (0.67) TSHRMAPK1RXFP1HTTL3MBTL1
SCHEMBL460340 0.69 CYP1A2 (0.75) TSHRMAPK1HTTL3MBTL1CYP1A2

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 TSHR 4353/4885MAPK1 248/4885MLKL 3/4885
US-20200046714-A1 Treating Male Senescence RIPK3, RIPK1, MLKL TSHR 4353/4885MAPK1 248/4885MLKL 3/4885
US-11666577-B2 MLKL inhibitors MLKL, CMKLR1, PCSK9 TSHR 4699/4885MAPK1 756/4885MLKL 1/4885

“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.