SCHEMBL5118031

SCHEMBL5118031

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.47
THRA P10827 12/20 0.47
ALDH1A1 P00352 1/20 0.41
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TACR1 P25103 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL5111651 0.90 THRA (0.61) THRBTHRAALDH1A1MMEACE
SCHEMBL5108855 0.90 THRB (0.47) THRBTHRAALDH1A1MMEACE
SCHEMBL5111579 0.89 ALDH1A1 (0.46) THRBTHRAALDH1A1MMEACE
SCHEMBL5116916 0.88 THRB (0.50) THRBTHRAALDH1A1LMNA
SCHEMBL4930845 0.87 THRB (0.49) THRBTHRAMMEACECPA1
SCHEMBL5107973 0.87 THRA (0.43) THRBTHRAALDH1A1MMEACE
SCHEMBL5722591 0.87 THRB (0.41) THRBTHRAALDH1A1SMN1; SMN2
SCHEMBL5115594 0.86 THRB (0.50) THRBTHRAALDH1A1SMN1; SMN2LMNA
SCHEMBL5111550 0.86 THRB (0.50) THRBTHRAALDH1A1
SCHEMBL4922875 0.86 THRB (0.52) THRBTHRA

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.