SCHEMBL4354616

SCHEMBL4354616

CC(=O)Nc1cccc(COc2c(Br)cc(CC(F)C(=O)O)cc2Br)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 10/20 0.41
THRB P10828 10/20 0.41
BRD4 O60885 1/20 0.37
PPARG P37231 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
FFAR1 O14842 1/20 0.36
ESR1 P03372 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
AR P10275 1/20 0.36
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
STAT1 P42224 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 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
SCHEMBL4360479 0.88 THRB (0.45) THRATHRBPPARGPDCD1CD274
SCHEMBL5311039 0.86 THRA (0.40) THRATHRBPPARGPDCD1CD274
SCHEMBL4356784 0.86 THRA (0.40) THRATHRBPPARGPDCD1CD274
SCHEMBL5722518 0.84 THRA (0.36) THRATHRBPDCD1CD274FFAR1
SCHEMBL5103564 0.84 THRB (0.49) THRATHRBBRD4ESR1NR3C1
SCHEMBL5108749 0.82 THRA (0.62) THRATHRBBRD4FFAR1ESR1
SCHEMBL14540615 0.82 THRA (0.42) THRATHRBPDCD1CD274FFAR1
SCHEMBL14540667 0.79 THRA (0.40) THRATHRBPDCD1CD274FFAR1
SCHEMBL5723708 0.79 THRA (0.41) THRATHRBBRD4FFAR1ESR1
SCHEMBL5309606 0.78 THRA (0.38) THRATHRBPPARGNR3C1NR3C2

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
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO claimed
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO disclosed
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 THRA 3/4885THRB 4/4885BRD4 1335/4885

“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.