SCHEMBL6699438

SCHEMBL6699438

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ RORC P51449 2/20 0.35
▸ LMNA P02545 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ CNR1 P21554 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 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
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL6694671 0.93 L3MBTL1 (0.40) L3MBTL1LMNAMAPTTP53POLB
SCHEMBL6699553 0.86 POLB (0.34) L3MBTL1POLBMEN1KMT2ACA12
SCHEMBL6691533 0.86 L3MBTL1 (0.43) L3MBTL1LMNAMAPTTP53POLB
SCHEMBL6697155 0.81 L3MBTL1 (0.39) L3MBTL1LMNAMAPTTP53POLB
SCHEMBL6694244 0.76 THRB (0.41) L3MBTL1LMNAMAPTPOLBGAA
SCHEMBL6694254 0.73 CA12 (0.34) LMNAPOLBMEN1GAAKMT2A
SCHEMBL6658141 0.68 THRA (0.47) L3MBTL1THRATHRB
SCHEMBL6657786 0.67 THRA (0.44) L3MBTL1GAATHRATHRB
SCHEMBL6695481 0.67 THRA (0.37) THRATHRB
SCHEMBL7258380 0.66 THRA (0.39) ALDH1A1THRATHRB

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 L3MBTL1 1162/4885RORC 173/4885LMNA 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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