SCHEMBL4356784

SCHEMBL4356784

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 9/20 0.40
THRB P10828 9/20 0.40
PPARG P37231 1/20 0.36
NR3C1 P04150 2/20 0.35
FFAR1 O14842 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
ESR1 P03372 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
CYP2C9 P11712 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RCE1 Q9Y256 1/20 0.34
FABP4 P15090 1/20 0.34
FABP5 Q01469 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
SCHEMBL5311039 1.00 THRA (0.40) THRATHRBPPARGNR3C1FFAR1
SCHEMBL14540614 0.92 THRA (0.38) THRATHRBPPARGNR3C1CYP1A2
SCHEMBL5309606 0.92 THRA (0.38) THRATHRBPPARGNR3C1CYP1A2
SCHEMBL5310031 0.89 THRA (0.41) THRATHRBPPARGNR3C1CYP1A2
SCHEMBL4345797 0.87 THRB (0.34) THRATHRBFFAR1CYP1A2CYP3A4
SCHEMBL4354616 0.86 THRA (0.41) THRATHRBPPARGNR3C1FFAR1
SCHEMBL4360479 0.86 THRB (0.45) THRATHRBPPARGNR3C1FFAR1
SCHEMBL5310191 0.85 THRA (0.38) THRATHRBPPARGNR3C1CYP1A2
SCHEMBL5116725 0.83 THRA (0.60) THRATHRBNR3C1FFAR1ESR1
SCHEMBL14540664 0.83 THRA (0.40) THRATHRBPPARGNR3C1FFAR1

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 6 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-2007039125-A2 AN OPTICALLY ACTIVE THYROID RECEPTOR AGONIST AND OPTICALLY ACTIVE KEY INTERMEDIATES IN ITS PRODUCTION KARO BIO AB (SE) 2007-04-12 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
WO-2007039125-A2 AN OPTICALLY ACTIVE THYROID RECEPTOR AGONIST AND OPTICALLY ACTIVE KEY INTERMEDIATES IN ITS PRODUCTION KARO BIO AB (SE) 2007-04-12 WO disclosed
WO-2007039125-A2 AN OPTICALLY ACTIVE THYROID RECEPTOR AGONIST AND OPTICALLY ACTIVE KEY INTERMEDIATES IN ITS PRODUCTION KARO BIO AB (SE) 2007-04-12 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 THRA 3/4885THRB 4/4885PPARG 106/4885

“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.