SCHEMBL5393458

SCHEMBL5393458

COC(=O)Cc1cc(Cl)c(Oc2ccc(N)c(C(F)(F)F)c2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.49
THRA P10827 13/20 0.49
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
MAPT P10636 2/20 0.40
BRAF P15056 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40
RAF1 P04049 1/20 0.40
ARAF P10398 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 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
SCHEMBL5388207 0.86 THRB (0.49) THRBTHRALMNAALDH1A1GAA
SCHEMBL5385598 0.86 THRB (0.49) THRBTHRALMNAALDH1A1GAA
SCHEMBL5388193 0.83 THRB (0.46) THRBTHRALMNAALDH1A1MEN1
SCHEMBL5386441 0.82 THRB (0.56) THRBTHRALMNAALDH1A1GAA
SCHEMBL5391643 0.81 THRB (0.60) THRBTHRALMNAALDH1A1MAPT
SCHEMBL3923780 0.80 THRA (0.55) THRBTHRALMNAALDH1A1GAA
SCHEMBL5396340 0.79 THRA (0.43) THRBTHRALMNAALDH1A1GAA
SCHEMBL5742868 0.75 THRB (0.57) THRBTHRALMNA
SCHEMBL5397843 0.74 THRB (0.60) THRBTHRALMNA
SCHEMBL3914044 0.74 THRA (0.50) THRBTHRALMNAALDH1A1GAA

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 2/4885LMNA 3427/4885

“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.