SCHEMBL420816

SCHEMBL420816

COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 7/20 0.48
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41

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
SCHEMBL31258876 1.00 SLC6A9 (0.48) SLC6A9KDM4EUSP2ALDH1A1HPGD
SCHEMBL421721 0.90 CA12 (0.52) SLC6A9KDM4EUSP2ALDH1A1HPGD
SCHEMBL3027243 0.85 SLC6A9 (0.45) SLC6A9SCN8ASCN10AAKR1C3AKR1C2
SCHEMBL1105439 0.85 HPGD (0.43) SLC6A9KDM4EUSP2ALDH1A1HPGD
SCHEMBL30951357 0.85 HPGD (0.43) SLC6A9KDM4EUSP2ALDH1A1HPGD
SCHEMBL26488238 0.83 LMNA (0.44) SLC6A9KDM4EUSP2ALDH1A1HPGD
SCHEMBL16503418 0.83 PTGS1 (0.47) KDM4EALDH1A1CA12CA1CA2
SCHEMBL31092882 0.83 LMNA (0.44) SLC6A9KDM4EUSP2ALDH1A1HPGD
SCHEMBL422420 0.82 LCK (0.45) SLC6A9KDM4EUSP2ALDH1A1HPGD
SCHEMBL3369693 0.82 CES2 (0.48) KDM4EALDH1A1HPGDHSD17B10AKR1C3

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184996-A1 PROCESS OF AMIDE FORMATION GLAXO GROUP LIMITED (GB) 2010-07-22 US claimed
EP-2170820-A2 IMPROVED PROCESS OF AMIDE FORMATION Glaxo Group Limited (GB) 2010-04-07 EP claimed
WO-2008155334-A2 IMPROVED PROCESS OF AMIDE FORMATION GLAXO GROUP LIMITED (GB) 2008-12-24 WO claimed
US-12576055-B2 Disease detection and treatment based on trimethyl-lysine levels THE CLEVELAND CLINIC FOUNDATION (US) 2026-03-17 US disclosed
US-20240165131-A1 TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS THE CLEVELAND CLINIC FOUNDATION 2024-05-23 US disclosed
US-20240139120-A1 TREATING DISEASE AND PROMOTING WEIGHT LOSS BY INHIBITING THE TMA/FMO3/TMAO PATHWAY THE CLEVELAND CLINIC FOUNDATION 2024-05-02 US disclosed
US-11911399-B2 Treating and preventing disease with TMA and TMAO lowering agents THE CLEVELAND CLINIC FOUNDATION (US) 2024-02-27 US disclosed
EP-4299064-A2 TREATING DISEASE AND PROMOTING WEIGHT LOSS BY INHIBITING THE TMA/FMO3/TMAO PATHWAY THE CLEVELAND CLINIC FOUNDATION (US) 2024-01-03 EP disclosed
EP-3641748-B1 TREATING DISEASE AND PROMOTING WEIGHT LOSS BY INHIBITING THE TMA/FMO3/TMAO PATHWAY CLEVELAND CLINIC FOUND (US) 2023-11-29 EP disclosed
US-11771659-B2 Treating disease and promoting weight loss by inhibiting the TMA/FMO3/TMAO pathway THE CLEVELAND CLINIC FOUNDATION (US) 2023-10-03 US disclosed
US-20210186991-A1 TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS THE CLEVELAND CLINIC FOUNDATION 2021-06-24 US disclosed
US-20080070973-A1 Compounds having activity at the GlyT1 transporter GLAXO GROUP LIMITED (GB) 2008-03-20 US disclosed
US-20080070973-A1 Compounds having activity at the GlyT1 transporter GLAXO GROUP LIMITED (GB) 2008-03-20 US disclosed
WO-2007147831-A1 PYRROLIDINE DERIVATIVES HAVING ACTIVITY AT THE GLYT1 TRANSPORTER GLAXO GROUP LIMITED (GB) 2007-12-27 WO disclosed
WO-2007147831-A1 PYRROLIDINE DERIVATIVES HAVING ACTIVITY AT THE GLYT1 TRANSPORTER GLAXO GROUP LIMITED (GB) 2007-12-27 WO disclosed
EP-1841727-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2007-10-10 EP disclosed
EP-1838663-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2007-10-03 EP disclosed
WO-2006067423-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed
WO-2006067417-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed
WO-2006067417-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 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 (8 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-11771659-B2 Treating disease and promoting weight loss by inhibiting the TMA/FMO3/TMAO pathway SLC5A2, SLC5A1, MAT1A SLC6A9 285/4885KDM4E 2023/4885USP2 2988/4885
US-20100184996-A1 PROCESS OF AMIDE FORMATION ADH1C, ADH5, ADH1A SLC6A9 2553/4885KDM4E 299/4885USP2 3380/4885
US-11911399-B2 Treating and preventing disease with TMA and TMAO lowering agents MAOB, DAO, ESD SLC6A9 2853/4885KDM4E 1290/4885USP2 3602/4885
US-20240139120-A1 TREATING DISEASE AND PROMOTING WEIGHT LOSS BY INHIBITING THE TMA/FMO3/TMAO PATHWAY SLC5A2, SLC5A1, MAT1A SLC6A9 285/4885KDM4E 2023/4885USP2 2988/4885
US-12576055-B2 Disease detection and treatment based on trimethyl-lysine levels BHMT, BHMT2, EHMT2 SLC6A9 172/4885KDM4E 270/4885USP2 2634/4885
US-20210186991-A1 TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS MAOB, DAO, ESD SLC6A9 2853/4885KDM4E 1290/4885USP2 3602/4885
US-20240165131-A1 TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS MAOB, DAO, ESD SLC6A9 2853/4885KDM4E 1290/4885USP2 3602/4885
US-20080070973-A1 Compounds having activity at the GlyT1 transporter SLC6A7, SLC6A1, SLC6A4 SLC6A9 27/4885KDM4E 3350/4885USP2 3777/4885

“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.