SCHEMBL24032741

SCHEMBL24032741

Cc1nn(-c2cc(Br)c(Oc3cc(C4CCCC4)c(=O)[nH]n3)c(Br)c2)c(=O)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 13/20 0.40
▸ THRB P10828 13/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ UGT1A1 P22309 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ SLCO1B1 Q9Y6L6 1/20 0.40
▸ CYP2C8 P10632 1/20 0.39
▸ JAK2 O60674 2/20 0.32
▸ JAK1 P23458 2/20 0.32
▸ TYK2 P29597 2/20 0.32
▸ JAK3 P52333 2/20 0.32
▸ DRD1 P21728 1/20 0.30

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
SCHEMBL24032162 0.98 THRA (0.40) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL24032551 0.96 THRA (0.41) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL24032580 0.89 THRB (0.53) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL24032542 0.88 THRB (0.52) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL24032731 0.86 THRB (0.53) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL24032593 0.86 THRA (0.53) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL24032555 0.84 THRA (0.55) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL24032752 0.84 THRA (0.53) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL24032587 0.82 THRA (0.54) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL24032610 0.80 THRA (0.62) THRATHRBCYP2C9UGT1A1ABCG2

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-20210355110-A1 THYROID HORMONE RECEPTOR AGONISTS InventisBio Co., Ltd. (CN) 2021-11-18 — — 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-20210355110-A1 THYROID HORMONE RECEPTOR AGONISTS TSHR, THRA, TRHR THRA 2/4885THRB 4/4885CYP2C9 1460/4885

“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.

Send feedback