SCHEMBL19726316

SCHEMBL19726316

CCOC(=O)C1=CCN(S(=O)(=O)c2cccc(F)c2)C1c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.44
ACHE P22303 3/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
PTGDR Q13258 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
TLR4 O00206 4/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39

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
SCHEMBL19726326 0.95 L3MBTL1 (0.42) BCHEACHENOD2NOD1PTGDR
SCHEMBL23775963 0.93 USP2 (0.43) BCHEACHENOD2NOD1PTGDR
SCHEMBL23775965 0.93 ACHE (0.47) BCHEACHENOD2NOD1PTGDR
SCHEMBL23775898 0.92 NOD2 (0.41) BCHEACHENOD2NOD1PTGDR
SCHEMBL23776098 0.91 NOD2 (0.48) BCHEACHENOD2NOD1TLR4
SCHEMBL23775874 0.91 L3MBTL1 (0.48) BCHEACHENOD2NOD1TLR4
SCHEMBL23775892 0.88 NOD2 (0.50) BCHEACHENOD2NOD1ALDH1A1
SCHEMBL23776145 0.88 L3MBTL1 (0.52) NOD2NOD1ALDH1A1KMT2AL3MBTL1
SCHEMBL23776101 0.88 TLR4 (0.41) BCHEACHEPTGDRPTGDR2TLR4
SCHEMBL23775890 0.86 NOD2 (0.47) BCHEACHENOD2NOD1TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM WAVEBREAK INC (US) 2024-06-27 US disclosed
WO-2022212568-A9 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM 1BASE PHARMACEUTICALS, LLC (US) 2023-11-16 WO disclosed
US-20230150935-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-18 US disclosed
US-20230150935-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-18 US disclosed
WO-2022212568-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM 1BASE PHARMACEUTICALS, LLC (US) 2022-10-06 WO disclosed
US-20220127226-A1 ANTI-ARRHYTHMICITY AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-28 US disclosed
WO-2021163493-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-08-19 WO disclosed
US-20170362173-A1 ANTI-ARRHYTHMICITY AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-12-21 US disclosed
US-20170362173-A1 ANTI-ARRHYTHMICITY AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-12-21 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 (4 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-20230150935-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS CHERP, ATP2A1, ATP2A3 BCHE 2275/4885ACHE 1615/4885NOD2 1593/4885
US-20170362173-A1 ANTI-ARRHYTHMICITY AGENTS KCNH1, TNNI3, TNNC1 BCHE 604/4885ACHE 110/4885NOD2 4581/4885
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM CPT2, PC, SREBF2 BCHE 3804/4885ACHE 4851/4885NOD2 3039/4885
US-20220127226-A1 ANTI-ARRHYTHMICITY AGENTS KCNH1, TNNI3, TNNC1 BCHE 604/4885ACHE 110/4885NOD2 4581/4885

“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.