SCHEMBL5110017

SCHEMBL5110017

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

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 14/20 0.71
THRB P10828 14/20 0.71
AR P10275 2/20 0.61
ESR1 P03372 1/20 0.61
NR3C1 P04150 1/20 0.61
PGR P06401 1/20 0.61
NR3C2 P08235 1/20 0.61
FFAR1 O14842 3/20 0.43
FFAR4 Q5NUL3 2/20 0.43
FABP4 P15090 1/20 0.43
TBXAS1 P24557 1/20 0.42

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
SCHEMBL5109789 0.94 THRA (0.68) THRATHRBARESR1NR3C1
SCHEMBL5103388 0.93 THRA (0.75) THRATHRBARESR1NR3C1
SCHEMBL4360347 0.88 THRA (0.73) THRATHRBARESR1NR3C1
SCHEMBL4346625 0.85 THRA (0.69) THRATHRBARESR1NR3C1
SCHEMBL4360199 0.84 THRA (0.67) THRATHRBARESR1NR3C1
SCHEMBL4353533 0.83 THRA (0.84) THRATHRBARESR1NR3C1
SCHEMBL4355776 0.83 THRA (0.79) THRATHRBARESR1NR3C1
SCHEMBL4351420 0.82 THRA (0.75) THRATHRBARESR1NR3C1
SCHEMBL4541153 0.82 THRA (0.80) THRATHRBARESR1NR3C1
SCHEMBL4348412 0.81 THRA (0.77) THRATHRBARESR1NR3C1

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 THRA 3/4885THRB 4/4885AR 253/4885

“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.