SCHEMBL5381972

SCHEMBL5381972

CC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(C(C)C(=O)O)cc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.50
THRA P10827 2/20 0.48
THRB P10828 2/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
XIAP P98170 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
PTGS1 P23219 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40

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
SCHEMBL5388467 0.82 THRB (0.72) MTNR1BTHRATHRBHTTKDM4E
SCHEMBL4359309 0.81 THRA (0.71) MTNR1BTHRATHRB
SCHEMBL5858200 0.80 PTGS1 (0.46) THRATHRBPTGS1
SCHEMBL5381964 0.80 THRA (0.60) MTNR1BTHRATHRBKMT2AMEN1
SCHEMBL5387736 0.79 THRB (0.56) MTNR1BTHRATHRBKMT2AMEN1
SCHEMBL5388301 0.79 THRB (0.51) THRATHRBKMT2AMEN1ALDH1A1
SCHEMBL5388297 0.79 THRB (0.51) THRATHRBKMT2AMEN1ALDH1A1
SCHEMBL5859386 0.79 FFAR1 (0.64) THRATHRBPTGS1RORC
SCHEMBL5391707 0.78 THRA (0.52) THRATHRBPTGS1
SCHEMBL5391712 0.78 THRA (0.52) THRATHRBPTGS1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199265-B2 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones KARO BIO AB (SE) 2007-04-03 US claimed
US-20040097589-A1 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones KARO BIO AB (SE) 2004-05-20 US claimed
EP-1296936-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2003-04-02 EP claimed
WO-2001098256-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2001-12-27 WO claimed
US-7199265-B2 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones KARO BIO AB (SE) 2007-04-03 US disclosed
US-20040097589-A1 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones KARO BIO AB (SE) 2004-05-20 US disclosed
EP-1296936-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2003-04-02 EP disclosed
WO-2001098256-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2001-12-27 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-20040097589-A1 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones TSHR, THRA, THRB MTNR1B 49/4885THRA 2/4885THRB 3/4885

“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.