SCHEMBL4356780

SCHEMBL4356780

CC=CC(=O)Nc1cccc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 13/20 0.69
THRB P10828 13/20 0.69
ESR1 P03372 1/20 0.62
NR3C1 P04150 1/20 0.62
PGR P06401 1/20 0.62
NR3C2 P08235 1/20 0.62
AR P10275 1/20 0.62
SIRT2 Q8IXJ6 1/20 0.46
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 1/20 0.44
DHODH Q02127 2/20 0.44

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
SCHEMBL4356773 1.00 THRA (0.69) THRATHRBESR1NR3C1PGR
SCHEMBL5722566 0.92 THRA (0.59) THRATHRBESR1NR3C1PGR
SCHEMBL4350120 0.86 THRA (0.76) THRATHRBESR1NR3C1PGR
SCHEMBL4358599 0.84 THRA (0.77) THRATHRBESR1NR3C1PGR
SCHEMBL4931751 0.84 THRA (0.77) THRATHRBESR1NR3C1PGR
SCHEMBL4348412 0.84 THRA (0.77) THRATHRBESR1NR3C1PGR
SCHEMBL4355776 0.84 THRA (0.79) THRATHRBESR1NR3C1PGR
SCHEMBL4363827 0.83 THRA (0.72) THRATHRBESR1NR3C1PGR
SCHEMBL4351420 0.83 THRA (0.75) THRATHRBESR1NR3C1PGR
SCHEMBL4511940 0.82 THRA (0.69) THRATHRBESR1NR3C1PGR

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
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO claimed
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO disclosed
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 THRA 3/4885THRB 4/4885ESR1 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.