SCHEMBL5116739

SCHEMBL5116739

CCC(=O)Nc1cc(Cl)cc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 16/20 0.60
THRA P10827 15/20 0.60
ESR1 P03372 1/20 0.52
NR3C1 P04150 1/20 0.52
PGR P06401 1/20 0.52
NR3C2 P08235 1/20 0.52
AR P10275 1/20 0.52
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5103911 0.90 THRA (0.47) THRBTHRAESR1NR3C1PGR
SCHEMBL5116440 0.89 THRB (0.62) THRBTHRAESR1NR3C1PGR
SCHEMBL5116604 0.89 THRB (0.54) THRBTHRAALDH1A1L3MBTL1
SCHEMBL4354497 0.89 THRB (0.62) THRBTHRAESR1NR3C1PGR
SCHEMBL5117351 0.88 THRB (0.58) THRBTHRAESR1NR3C1PGR
SCHEMBL5110783 0.87 THRB (0.43) THRBTHRAALDH1A1L3MBTL1
SCHEMBL4362409 0.86 THRB (0.74) THRBTHRAESR1NR3C1PGR
SCHEMBL4533008 0.86 THRB (0.65) THRBTHRAESR1NR3C1PGR
SCHEMBL4348412 0.86 THRA (0.77) THRBTHRAESR1NR3C1PGR
SCHEMBL5119814 0.86 THRA (0.58) THRBTHRAESR1NR3C1PGR

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-20080004251-A1 Novel Pharmaceutical Compositions Comprising Agonists of the Thyroid Receptor KARO BIO AB (SE) 2008-01-03 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-20080004251-A1 Novel Pharmaceutical Compositions Comprising Agonists of the Thyroid Receptor TSHR, TRHR, THRA THRB 4/4885THRA 3/4885ESR1 299/4885

“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.