SCHEMBL5455782

SCHEMBL5455782

CC(=O)Oc1cc(Cl)c(Oc2ccc(NC(=O)C(C)C)c(-c3ccccc3)c2)c(Cl)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.45
THRA P10827 8/20 0.45
BACE1 P56817 3/20 0.41
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BRAF P15056 1/20 0.36
NPC1 O15118 2/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL5382504 0.91 BACE1 (0.42) THRBTHRABACE1KDM4EALDH1A1
SCHEMBL5385615 0.87 THRA (0.48) THRBTHRAALDH1A1NPC1MEN1
SCHEMBL5397945 0.86 THRA (0.47) THRBTHRAKDM4EALDH1A1HPGD
SCHEMBL5385243 0.85 THRA (0.60) THRBTHRAKDM4EALDH1A1HPGD
SCHEMBL5391640 0.82 THRA (0.43) THRBTHRAKDM4EALDH1A1BRAF
SCHEMBL5393174 0.81 MTNR1B (0.46) THRBTHRAKDM4EALDH1A1CYP1A2
SCHEMBL5382656 0.78 THRB (0.73) THRBTHRA
SCHEMBL5455785 0.76 THRB (0.62) THRBTHRARORC
SCHEMBL5406453 0.74 THRB (0.47) THRBTHRAKDM4EALDH1A1L3MBTL1
SCHEMBL5382648 0.73 THRB (0.60) THRBTHRAKDM4EALDH1A1MEN1

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 4 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 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 THRB 3/4885THRA 2/4885BACE1 4396/4885

“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.