SCHEMBL5116911

SCHEMBL5116911

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 17/20 0.51
THRA P10827 16/20 0.51
PTGER1 P34995 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SENP5 Q96HI0 1/20 0.39
SENP2 Q9HC62 1/20 0.39
SENP1 Q9P0U3 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
SCHEMBL5110974 0.90 THRA (0.51) THRBTHRAPTGER1ALDH1A1KMT2A
SCHEMBL5119814 0.89 THRA (0.58) THRBTHRAPTGER1
SCHEMBL5118054 0.89 THRB (0.51) THRBTHRAALDH1A1MAPTKMT2A
SCHEMBL5120064 0.88 THRA (0.46) THRBTHRAPTGER1ALDH1A1MAPT
SCHEMBL5111550 0.88 THRB (0.50) THRBTHRAALDH1A1MAPTKMT2A
SCHEMBL5109701 0.87 THRB (0.53) THRBTHRA
SCHEMBL4934584 0.86 THRB (0.53) THRBTHRA
SCHEMBL5119841 0.85 THRB (0.56) THRBTHRASENP5SENP2SENP1
SCHEMBL5116604 0.85 THRB (0.54) THRBTHRAPTGER1ALDH1A1
SCHEMBL5110385 0.85 THRB (0.47) THRBTHRAALDH1A1MAPTKMT2A

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 3/4885PTGER1 138/4885

“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.