SCHEMBL3549199

SCHEMBL3549199

COC(=O)CC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
CTNNB1 P35222 9/20 0.51
WNT3A P56704 9/20 0.51
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
F2R P25116 1/20 0.43
MAOB P27338 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.42

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
SCHEMBL401715 0.86 LMNA (0.49) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL8489375 0.83 LMNA (0.56) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL8439499 0.80 LMNA (0.53) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL31475594 0.79 LMNA (0.56) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL2494518 0.79 LMNA (0.56) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL3474396 0.79 LMNA (0.56) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL8489219 0.79 LMNA (0.45) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL45490 0.79 LMNA (0.59) LMNAGAA
SCHEMBL29410857 0.79 CTNNB1 (0.57) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL1950901 0.79 CTNNB1 (0.57) LMNAGAACTNNB1WNT3AKCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410757-B1 TAXANE COMPOUNDS BIO RESEARCH CORPORATION OF YOKOHAMA (JP) 2002-06-25 US claimed
WO-2024215863-A2 INHIBITING MONOACYLGLYCEROL LIPASE (MAGL) PSY THERAPEUTICS, INC. (US) 2024-10-17 WO disclosed
EP-3148972-B1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS INC (US) 2019-08-21 EP disclosed
US-9682938-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
EP-3148972-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals Inc. (US) 2017-04-05 EP disclosed
WO-2015183839-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-12-03 WO disclosed
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-12-03 US disclosed
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2010-11-04 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-1910359-B1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-18 EP disclosed
EP-1910359-A1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. Hoffmann-Roche AG (CH) 2008-04-16 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
EP-1851204-A1 NAPHTHALENE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR SmithKline Beecham Corporation (US) 2007-11-07 EP disclosed
WO-2007009911-A1 PYRIDO [2 , 3-D] PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO disclosed
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-01-25 US disclosed
WO-2006091592-A1 NAPHTHALENE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2006-08-31 WO disclosed
EP-1029857-B1 Baccatin derivatives and a process for producing the same BIO RES CORP OF YOKOHAMA (JP) 2003-07-16 EP disclosed
US-6410757-B1 TAXANE COMPOUNDS BIO RESEARCH CORPORATION OF YOKOHAMA (JP) 2002-06-25 US disclosed
EP-1029857-A1 Baccatin derivatives and a process for producing the same Bio Research Corporation of Yokohama (JP) 2000-08-23 EP 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 LMNA 3047/4885GAA 1712/4885CTNNB1 664/4885
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 LMNA 2480/4885GAA 1354/4885CTNNB1 3785/4885
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors PTPRF, PTPN1, PTPRCAP LMNA 4736/4885GAA 226/4885CTNNB1 2561/4885
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP LMNA 4736/4885GAA 226/4885CTNNB1 2561/4885

“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.