SCHEMBL5116604

SCHEMBL5116604

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.54
THRA P10827 13/20 0.51
ALDH1A1 P00352 1/20 0.42
PTGER1 P34995 1/20 0.39
DHODH Q02127 1/20 0.39
PPARG P37231 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL5109827 0.89 THRB (0.50) THRBTHRAALDH1A1PTGER1L3MBTL1
SCHEMBL5110783 0.89 THRB (0.43) THRBTHRAALDH1A1PTGER1DHODH
SCHEMBL5116739 0.89 THRB (0.60) THRBTHRAALDH1A1L3MBTL1
SCHEMBL5110308 0.88 THRB (0.54) THRBTHRAALDH1A1DHODHPPARG
SCHEMBL5109701 0.88 THRB (0.53) THRBTHRADHODHPPARG
SCHEMBL5119770 0.87 THRB (0.53) THRBTHRAALDH1A1DHODHPPARG
SCHEMBL4345996 0.86 THRB (0.57) THRBTHRAPPARG
SCHEMBL4931778 0.85 THRB (0.56) THRBTHRAPPARG
SCHEMBL5110363 0.85 THRB (0.60) THRBTHRAALDH1A1
SCHEMBL5116911 0.85 THRB (0.51) THRBTHRAALDH1A1PTGER1

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.