SCHEMBL23168804

SCHEMBL23168804

N#Cc1nn(-c2cc(Cl)c(Oc3ccc(=O)n(-c4ccc(F)cc4)n3)c(Cl)c2)c(=O)[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 16/20 0.57
▸ THRB P10828 16/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ CYP2C8 P10632 1/20 0.57
▸ NPC1 O15118 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ OPRK1 P41145 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ UGT1A1 P22309 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ SLCO1B1 Q9Y6L6 1/20 0.40
▸ BCAT1 P54687 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ S1PR1 P21453 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
SCHEMBL23168801 0.91 THRA (0.59) THRATHRBCYP2C9CYP2C8NPC1
SCHEMBL23168767 0.90 THRA (0.58) THRATHRBCYP2C9CYP2C8NPC1
SCHEMBL24820875 0.90 THRA (0.54) THRATHRBCYP2C9CYP2C8NPC1
SCHEMBL23168800 0.90 THRA (0.58) THRATHRBCYP2C9CYP2C8NPC1
SCHEMBL23168714 0.87 THRA (0.54) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL24821018 0.87 THRA (0.57) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL24820876 0.85 THRA (0.55) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL23168796 0.85 THRA (0.57) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL23168799 0.84 THRA (0.54) THRATHRBCYP2C9CYP2C8NPC1
SCHEMBL24821074 0.84 THRA (0.54) THRATHRBCYP2C9CYP2C8UGT1A1

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 3 patents. 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
EP-4036090-A1 CHEMICAL COMPOUND AS THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2022-08-03 — — EP disclosed
WO-2021057791-A1 CHEMICAL COMPOUND AS THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF 广东东阳光药业有限公司 2021-04-01 — — 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 (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 1/4885CYP2C9 799/4885

“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.

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