SCHEMBL6700087

SCHEMBL6700087

CN(C(=O)O)c1nc(F)c(Cl)c(Oc2ccc(O)c(-c3cccc(Cl)c3)c2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 17/20 0.43
▸ THRA P10827 16/20 0.43
▸ EGFR P00533 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL6700899 0.80 THRB (0.50) THRBTHRA
SCHEMBL6700091 0.79 THRB (0.46) THRBTHRA
SCHEMBL6692400 0.72 THRB (0.64) THRBTHRA
SCHEMBL6690833 0.71 THRB (0.57) THRBTHRA
SCHEMBL6695033 0.70 THRB (0.59) THRBTHRA
SCHEMBL6695738 0.70 THRB (0.53) THRBTHRA
SCHEMBL4426106 0.68 THRB (0.83) THRBTHRA
SCHEMBL6695591 0.68 PDE4D (0.42) THRBTHRAEGFRCYP2C9CYP2C19
SCHEMBL2787292 0.63 THRB (0.71) THRBTHRA
SCHEMBL14489280 0.63 THRB (0.64) THRBTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747048-B2 TREATING DISEASES OR DISORDERS ASSOCIATED WITH METABOLISM DYSFUNCTION OR WHICH ARE DEPENDENT UPON THE EXPRESSION OF A T3 REGULATED GENE, BRISTOL-MYERS SQUIBB COMPANY 2004-06-08 — — US disclosed
US-20040039028-A1 Pyridine-based thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY 2004-02-26 — — US 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-20040039028-A1 Pyridine-based thyroid receptor ligands TSHR, THRB, THRA THRB 2/4885THRA 3/4885EGFR 328/4885

“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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