SCHEMBL6912094

SCHEMBL6912094

CC(C(=O)O)c1cc(Cl)c(Oc2ccc(N)c(Cl)c2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 8/20 0.45
▸ THRB P10828 8/20 0.45
▸ PTGS1 P23219 4/20 0.43
▸ AKR1C3 P42330 5/20 0.40
▸ AKR1C2 P52895 5/20 0.40
▸ PTGS2 P35354 3/20 0.40
▸ CDC42 P60953 1/20 0.40
▸ RAC1 P63000 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.40
▸ CHRM1 P11229 1/20 0.39

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
SCHEMBL3141270 0.88 THRA (0.46) THRATHRBPTGS1AKR1C3AKR1C2
SCHEMBL5858200 0.86 PTGS1 (0.46) THRATHRBPTGS1AKR1C3AKR1C2
SCHEMBL10922696 0.81 PTGS1 (0.55) PTGS1AKR1C3AKR1C2PTGS2CDC42
SCHEMBL7069850 0.79 THRA (0.73) THRATHRB
SCHEMBL5386428 0.79 KMT2A (0.47) THRATHRBPTGS1AKR1C3AKR1C2
SCHEMBL7073261 0.77 RORC (0.65) THRATHRBAKR1C3AKR1C2
SCHEMBL5381972 0.75 MTNR1B (0.50) THRATHRBPTGS1
SCHEMBL5389083 0.74 THRB (0.43) THRATHRB
SCHEMBL5388467 0.73 THRB (0.72) THRATHRBPTGS1AKR1C3AKR1C2
SCHEMBL5387103 0.73 THRB (0.64) THRATHRBPTGS1AKR1C3AKR1C2

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
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 THRA 2/4885THRB 3/4885PTGS1 848/4885

“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.

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