SCHEMBL24820488

SCHEMBL24820488

CC(c1ccc(=O)n(C(C)C)n1)c1c(Cl)cc(-n2nc(C#N)c(=O)[nH]c2=O)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 15/20 0.58
THRB P10828 15/20 0.58
CYP2C8 P10632 1/20 0.50
CYP2C9 P11712 1/20 0.50
BCAT1 P54687 1/20 0.37
NPC1 O15118 3/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
OPRK1 P41145 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
S1PR4 O95977 1/20 0.36
HSP90AA1 P07900 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK1 P28482 1/20 0.36
AGTR1 P30556 1/20 0.36
MEN1 O00255 2/20 0.35

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
SCHEMBL23168717 0.82 THRA (0.65) THRATHRBCYP2C8CYP2C9
SCHEMBL24821078 0.82 THRA (0.65) THRATHRBCYP2C8CYP2C9BCAT1
SCHEMBL24820487 0.82 THRA (0.55) THRATHRBCYP2C8CYP2C9BCAT1
SCHEMBL2927758 0.78 THRA (0.70) THRATHRBCYP2C8CYP2C9
SCHEMBL23168582 0.75 THRA (0.61) THRATHRBCYP2C8CYP2C9NPC1
SCHEMBL25074237 0.74 THRA (0.65) THRATHRBCYP2C8CYP2C9
SCHEMBL9379900 0.73 THRA (0.61) THRATHRBCYP2C8CYP2C9BCAT1
SCHEMBL23168718 0.73 THRA (0.60) THRATHRBCYP2C8CYP2C9
SCHEMBL23168724 0.73 THRA (0.60) THRATHRBCYP2C8CYP2C9
SCHEMBL23168784 0.73 THRA (0.60) THRATHRBCYP2C8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411400-A1 CHEMICAL COMPOUND AS THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-12-29 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 (1 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-20220411400-A1 CHEMICAL COMPOUND AS THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF THRB, TSHR, THRA THRA 3/4885THRB 1/4885CYP2C8 770/4885

“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.