SCHEMBL24032176

SCHEMBL24032176

CC(C)c1cc(Oc2c(F)cc(-n3nc(C#N)c(=O)[nH]c3=O)cc2F)n[nH]c1=O

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRA P10827 19/20 0.79
THRB P10828 19/20 0.79
CYP2C9 P11712 2/20 0.79
CYP2C8 P10632 1/20 0.79
UGT1A1 P22309 1/20 0.58
ABCG2 Q9UNQ0 1/20 0.58
SLCO1B1 Q9Y6L6 1/20 0.58

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
SCHEMBL23245036 0.94 THRA (0.88) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL25673785 0.89 THRA (0.79) THRATHRBCYP2C9CYP2C8UGT1A1
Resmetirom SCHEMBL2927241 0.89 THRA (1.00) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL24548722 0.88 THRA (0.67) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL23245123 0.88 THRA (0.78) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL30864240 0.88 THRA (0.78) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL22632647 0.86 THRA (0.91) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL23022537 0.84 THRA (0.88) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL23287540 0.84 THRB (0.88) THRATHRBCYP2C9CYP2C8UGT1A1
Resmetirom SCHEMBL22551615 0.84 THRA (0.84) 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 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.