SCHEMBL4933156

SCHEMBL4933156

CCCNc1cc(C)cc(COc2c(Cl)cc(CC(=O)O)cc2Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 16/20 0.39
THRA P10827 15/20 0.39
PTGS2 P35354 2/20 0.35
ABCB11 O95342 1/20 0.35
PTGS1 P23219 1/20 0.35
PPARG P37231 1/20 0.35
NR1I3 Q14994 1/20 0.35
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34

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
SCHEMBL4922939 0.92 THRB (0.40) THRBTHRAPTGS2ABCB11PTGS1
SCHEMBL5718235 0.91 ALDH1A1 (0.34) THRBTHRAS1PR2S1PR1S1PR3
SCHEMBL4933925 0.91 THRB (0.39) THRBTHRAS1PR2S1PR1S1PR3
SCHEMBL4934279 0.90 FFAR4 (0.41) THRBTHRA
SCHEMBL4931497 0.90 THRB (0.49) THRBTHRAPPARG
SCHEMBL4926366 0.87 THRB (0.41) THRBTHRAPTGS2ABCB11PTGS1
SCHEMBL5112221 0.85 THRB (0.53) THRBTHRAPTGS2ABCB11PTGS1
SCHEMBL4933489 0.85 FABP4 (0.41) THRBTHRA
SCHEMBL5108039 0.85 THRB (0.41) THRBTHRAPTGS2ABCB11PTGS1
SCHEMBL4930388 0.84 THRB (0.43) THRBTHRAPTGS2ABCB11PTGS1

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-20080221210-A1 Thyroid Receptor Agonists KARO BIO AB (SE) 2008-09-11 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-20080221210-A1 Thyroid Receptor Agonists TSHR, TRHR, THRA THRB 4/4885THRA 3/4885PTGS2 2875/4885

“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.