SCHEMBL5118868

SCHEMBL5118868

CCS(=O)(=O)Nc1cc(Cl)cc(COc2c(Br)cc(CC(F)C(=O)O)cc2Br)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.39
THRA P10827 13/20 0.39
AR P10275 2/20 0.35
FFAR1 O14842 2/20 0.35
ESR1 P03372 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
PLAUR Q03405 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5110942 0.91 FFAR1 (0.37) THRBARFFAR1LMNAKMT2A
SCHEMBL4356861 0.91 THRB (0.39) THRBTHRAARFFAR1ESR1
SCHEMBL5110522 0.90 THRB (0.40) THRBTHRAARFFAR1ESR1
SCHEMBL5722751 0.88 THRB (0.34) THRBTHRAFFAR1
SCHEMBL5106574 0.87 THRB (0.42) THRBTHRAAR
SCHEMBL4356850 0.86 THRB (0.50) THRBTHRAARFFAR1ESR1
SCHEMBL4922880 0.86 THRB (0.40) THRBTHRAARFFAR1ESR1
SCHEMBL4931798 0.86 THRB (0.41) THRBTHRAARFFAR1ESR1
SCHEMBL4922974 0.86 THRB (0.39) THRBTHRAARFFAR1ESR1
SCHEMBL5115410 0.84 THRB (0.39) THRBTHRAFFAR1KMT2A

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 3/4885AR 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.