SCHEMBL6694254

SCHEMBL6694254

O=C(O)CNc1nc(F)c(Cl)c(Oc2ccc(O)c(S(=O)(=O)c3ccc(F)cc3)c2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA13 Q8N1Q1 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ CA5B Q9Y2D0 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ PIN1 Q13526 1/20 0.34
▸ HSD17B3 P37058 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ THRB P10828 4/20 0.33
▸ THRA P10827 3/20 0.33
▸ PTGDR2 Q9Y5Y4 3/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ MMP1 P03956 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
SCHEMBL6697155 0.93 L3MBTL1 (0.39) CA12CA1CA2CA4CA6
SCHEMBL6695481 0.87 THRA (0.37) PIN1THRBTHRA
SCHEMBL7258380 0.86 THRA (0.39) PIN1THRBTHRAALDH1A1
SCHEMBL6692436 0.83 ATM (0.39) THRBTHRAMEN1KMT2AATM
SCHEMBL6699553 0.83 POLB (0.34) CA12CA1CA2CA9POLB
SCHEMBL6699450 0.82 THRB (0.39) CA12CA9POLBPIN1THRB
SCHEMBL6693291 0.81 THRB (0.38) CA12CA1CA2CA9CA14
SCHEMBL6693202 0.79 THRA (0.54) THRBTHRA
SCHEMBL6692015 0.78 THRB (0.47) PIN1THRBTHRA
Methane SCHEMBL6690821 0.78 THRA (0.53) 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 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 CA12 4592/4885CA1 4054/4885CA2 4141/4885

“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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