SCHEMBL5118084

SCHEMBL5118084

CC(C)C(=O)Nc1cc(C#N)cc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 18/20 0.52
THRB P10828 18/20 0.52
ESR1 P03372 1/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
NR3C2 P08235 1/20 0.47
AR P10275 1/20 0.47
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5119314 0.90 FFAR1 (0.42) THRATHRBESR1NR3C1PGR
SCHEMBL5110385 0.90 THRB (0.47) THRATHRBMEN1KMT2A
SCHEMBL5112519 0.89 THRB (0.54) THRATHRBESR1NR3C1PGR
SCHEMBL4932608 0.88 THRA (0.53) THRATHRBESR1NR3C1PGR
SCHEMBL5107847 0.87 THRB (0.55) THRATHRBESR1NR3C1PGR
SCHEMBL4929557 0.86 THRB (0.56) THRATHRBESR1NR3C1PGR
SCHEMBL5108065 0.85 THRA (0.61) THRATHRBESR1NR3C1PGR
SCHEMBL5119814 0.85 THRA (0.58) THRATHRBESR1NR3C1PGR
SCHEMBL4935277 0.85 THRA (0.53) THRATHRBESR1NR3C1PGR
SCHEMBL5104560 0.85 THRA (0.54) 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 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 4/4885ESR1 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.