SCHEMBL6699553

SCHEMBL6699553

O=C(O)NCc1nc(F)c(Cl)c(Oc2ccc(O)c(S(=O)(=O)c3ccc(F)cc3)c2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ HSD17B3 P37058 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ NAMPT P43490 4/20 0.33
▸ THRA P10827 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ S1PR2 O95136 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ SGMS1 Q86VZ5 1/20 0.33
▸ COMT P21964 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6694671 0.94 L3MBTL1 (0.40) POLBTHRATHRBMEN1KMT2A
SCHEMBL6694244 0.89 THRB (0.41) POLBHSD17B3HSD17B2THRBL3MBTL1
SCHEMBL6699438 0.86 L3MBTL1 (0.37) POLBNAMPTTHRATHRBMEN1
SCHEMBL6694254 0.83 CA12 (0.34) POLBHSD17B3HSD17B2THRATHRB
SCHEMBL6691533 0.80 L3MBTL1 (0.43) POLBTHRBMEN1KMT2ACOMT
SCHEMBL6697155 0.78 L3MBTL1 (0.39) POLBTHRATHRBMEN1KMT2A
SCHEMBL4961949 0.73 POLB (0.43) POLBHSD17B3HSD17B2THRATHRB
SCHEMBL6854363 0.73 THRB (0.58) THRATHRB
SCHEMBL6861917 0.73 THRB (0.41) POLBHSD17B3HSD17B2THRATHRB
SCHEMBL4961898 0.72 THRA (0.56) HSD17B3HSD17B2THRATHRB

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-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
WO-2003094845-A2 PYRIDINE-BASED THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-20 — — 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-20040039028-A1 Pyridine-based thyroid receptor ligands TSHR, THRB, THRA POLB 3561/4885HSD17B3 702/4885HSD17B2 922/4885

“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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