SCHEMBL6697148

SCHEMBL6697148

COC(=O)COc1nc(F)c(Cl)c(Oc2ccc(OC)c(Br)c2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.37
▸ LPAR2 Q9HBW0 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34

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
SCHEMBL6692303 0.87 RORC (0.48) THRBRORC
SCHEMBL6695591 0.83 PDE4D (0.42) LPAR2KMT2AKDM4EALDH1A1MEN1
SCHEMBL6692440 0.82 THRB (0.36) LMNAKMT2AKDM4EALDH1A1MEN1
SCHEMBL6692393 0.82 THRB (0.39) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL6704911 0.81 THRA (0.43) THRBHDAC4HDAC2HDAC8
SCHEMBL6693972 0.80 THRA (0.50) THRB
SCHEMBL6694659 0.78 RORC (0.49) THRBRORC
SCHEMBL6693964 0.78 THRB (0.55) THRB
SCHEMBL6693009 0.74 KDM4E (0.49) MAPK1LMNAKMT2AKDM4EALDH1A1
SCHEMBL6694189 0.71 TUBB1 (0.54) LMNAKMT2AALDH1A1MEN1THRB

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 MAPK1 2103/4885LPAR2 2531/4885LMNA 4794/4885

“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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