SCHEMBL5116750

SCHEMBL5116750

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.42
THRA P10827 9/20 0.42
DHODH Q02127 2/20 0.37
FFAR1 O14842 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC7A5 Q01650 1/20 0.36
TACR1 P25103 1/20 0.35
PTGER1 P34995 1/20 0.34
ESR1 P03372 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
AR P10275 1/20 0.34

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
SCHEMBL5722653 0.92 THRA (0.41) THRBTHRADHODHFFAR1PTGER1
SCHEMBL5111457 0.89 THRB (0.40) THRBTHRADHODHFFAR1KMT2A
SCHEMBL5110048 0.89 THRA (0.40) THRBTHRADHODHFFAR1MEN1
SCHEMBL5110197 0.89 TACR1 (0.40) FFAR1MEN1KMT2ASLC7A5TACR1
SCHEMBL4934394 0.89 THRB (0.42) THRBTHRADHODHFFAR1MEN1
SCHEMBL4349711 0.89 THRB (0.40) THRBTHRADHODHFFAR1PTGER1
SCHEMBL4926936 0.89 THRB (0.43) THRBTHRAFFAR1SLC7A5ESR1
SCHEMBL4922928 0.87 THRB (0.50) THRBTHRAFFAR1ESR1NR3C1
SCHEMBL5112643 0.86 THRA (0.44) THRBTHRADHODHTACR1PTGER1
SCHEMBL4931744 0.86 THRB (0.42) THRBTHRAFFAR1MEN1KMT2A

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 3/4885DHODH 4312/4885

“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.