SCHEMBL5111457

SCHEMBL5111457

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.40
THRA P10827 10/20 0.40
ALDH1A1 P00352 1/20 0.38
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
DHODH Q02127 2/20 0.36
SENP5 Q96HI0 1/20 0.36
SENP2 Q9HC62 1/20 0.36
SENP1 Q9P0U3 1/20 0.36
FFAR1 O14842 1/20 0.35
KMT2A Q03164 2/20 0.34
POLB P06746 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
SCHEMBL5722478 0.95 THRB (0.37) THRBTHRAALDH1A1SLC1A2SLC1A1
SCHEMBL5115410 0.90 THRB (0.39) THRBTHRAALDH1A1SLC1A2SLC1A1
SCHEMBL5112161 0.90 ALDH1A1 (0.38) THRBTHRAALDH1A1SLC1A2SLC1A1
SCHEMBL5116750 0.89 THRB (0.42) THRBTHRADHODHFFAR1KMT2A
SCHEMBL5110048 0.88 THRA (0.40) THRBTHRAALDH1A1DHODHSENP5
SCHEMBL4922928 0.87 THRB (0.50) THRBTHRAFFAR1
SCHEMBL5722480 0.87 ALDH1A1 (0.37) THRBTHRAALDH1A1SENP5SENP2
SCHEMBL4926936 0.87 THRB (0.43) THRBTHRAFFAR1
SCHEMBL5119332 0.87 THRB (0.43) THRBTHRAALDH1A1SLC1A2SLC1A1
SCHEMBL4931744 0.86 THRB (0.42) 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 3/4885ALDH1A1 2530/4885

“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.