SCHEMBL5115594

SCHEMBL5115594

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 13/20 0.50
THRA P10827 11/20 0.48
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACP1 P24666 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39

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
SCHEMBL5110472 0.90 THRB (0.47) THRBTHRAALDH1A1LMNAACP1
SCHEMBL5109300 0.90 THRA (0.62) THRBTHRAALDH1A1LMNA
SCHEMBL5107813 0.89 THRB (0.46) THRBTHRAALDH1A1LMNAHTT
SCHEMBL5116916 0.89 THRB (0.50) THRBTHRAALDH1A1LMNARXRA
SCHEMBL5722596 0.89 THRB (0.42) THRBTHRAALDH1A1LMNA
SCHEMBL4930674 0.87 THRB (0.53) THRBTHRARXRARXRBRXRG
SCHEMBL4922875 0.87 THRB (0.52) THRBTHRARXRARXRBRXRG
SCHEMBL5118031 0.86 THRB (0.47) THRBTHRAALDH1A1LMNASMN1; SMN2
SCHEMBL4932092 0.86 THRB (0.51) THRBTHRARXRARXRBRXRG
SCHEMBL5119332 0.86 THRB (0.43) THRBTHRAALDH1A1LMNAACP1

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 3 patents. 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
EP-1732532-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2006-12-20 EP disclosed
WO-2005092316-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2005-10-06 WO 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.