SCHEMBL5115648

SCHEMBL5115648

CC(C)C(=O)Nc1cc(Cl)cc(COc2c(Cl)cc(CC(=O)O)cc2Cl)c1F

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 16/20 0.53
THRA P10827 15/20 0.53
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.34
CA2 P00918 1/20 0.33
PTGER1 P34995 1/20 0.33

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
SCHEMBL5722620 0.91 THRA (0.45) THRBTHRAMEN1ALDH1A1KMT2A
SCHEMBL5106616 0.91 THRB (0.52) THRBTHRAALDH1A1HTT
SCHEMBL5103433 0.91 THRA (0.54) THRBTHRAMEN1ALDH1A1KMT2A
SCHEMBL5118091 0.90 THRA (0.42) THRBTHRA
SCHEMBL5111931 0.89 THRB (0.40) THRBTHRAMEN1KMT2ACA2
SCHEMBL4929682 0.88 THRB (0.41) THRBTHRAMEN1KMT2ACA2
SCHEMBL5116438 0.87 THRB (0.51) THRBTHRAMEN1ALDH1A1KMT2A
SCHEMBL4929450 0.87 THRB (0.41) THRBTHRAMEN1KMT2ACA2
SCHEMBL5107795 0.86 THRA (0.54) THRBTHRAMEN1ALDH1A1KMT2A
SCHEMBL4928285 0.85 THRB (0.40) THRBTHRAMEN1ALDH1A1KMT2A

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 3/4885MEN1 806/4885

“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.