SCHEMBL4157926

SCHEMBL4157926

O=C1CCc2cc(OS(=O)(=O)C(F)(F)F)ccc21

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.57
MAOA P21397 5/20 0.48
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HRH3 Q9Y5N1 3/20 0.46
GRM5 P41594 1/20 0.43
HSD17B1 P14061 2/20 0.41
DRD2 P14416 1/20 0.41
HTR1D P28221 1/20 0.41
DRD3 P35462 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
SCHEMBL1471642 0.91 MAOB (0.55) MAOBMAOAHRH3GRM5HSD17B1
SCHEMBL315565 0.91 MAOB (0.55) MAOBMAOAGRM5HSD17B1
SCHEMBL1513396 0.89 MAOB (0.46) MAOBMAOAHRH3DRD2HTR1D
SCHEMBL2089994 0.85 DRD2 (0.42) MAOBMAOADRD2HTR1DDRD3
SCHEMBL3988527 0.83 MAOB (0.64) MAOBMAOAHSD17B1
SCHEMBL1513290 0.80 MAOA (0.53) MAOBMAOAHRH3DRD2HTR1D
SCHEMBL16499744 0.80 HSD11B1 (0.40) MAOBMAOADRD2HTR1DDRD3
SCHEMBL1239457 0.80 MAOB (0.60) MAOBMAOACASP1CASP7HSD17B10
SCHEMBL5685785 0.80 MAOB (0.49) MAOBMAOACASP1CASP7HSD17B10
SCHEMBL1417460 0.79 PARP10 (0.51) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12350283-B2 Methods and compositions for treating motor neuron diseases UNIVERSITAT DE VALENCIA-ESTUDI GENERAL (ES) 2025-07-08 US disclosed
US-20220160745-A1 METHODS AND COMPOSITIONS FOR TREATING MOTOR NEURON DISEASES UNIVERSITAT DE VALÈNCIA-ESTUDI GENERAL (ES) 2022-05-26 US disclosed
EP-3930728-A1 METHODS AND COMPOSITIONS FOR TREATING MOTOR NEURON DISEASES Universitat de Valencia - Estudi General (ES) 2022-01-05 EP disclosed
CN-113473993-A Methods and compositions for treating motor neuron diseases 巴伦西亚大学 2021-10-01 CN disclosed
US-20090270495-A1 Inhibitors of Phosphodiesterase Types 1 To 5 Based on Dioclein, Floranol, and Analogs Thereof UNIVERSIDADE FEDERAL DE MINAS GERAIS (BR) 2009-10-29 US disclosed
US-20090270495-A1 Inhibitors of Phosphodiesterase Types 1 To 5 Based on Dioclein, Floranol, and Analogs Thereof UNIVERSIDADE FEDERAL DE MINAS GERAIS (BR) 2009-10-29 US disclosed
US-20090105278-A1 Selective inhibitors of human corticosteroid syntheses UNIVERSITAT DES SAARLANDES (DE) 2009-04-23 US disclosed
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
EP-1877049-A2 INCLUSION COMPOUNDS OF DIOCLEIN, FLORANOL OR ANALOGS WITH CYCLODEXTRIN AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES Universidade Federal de Minas Gerais (BR) 2008-01-16 EP disclosed
EP-1768654-A2 SELECTIVE INHIBITORS OF HUMAN CORTICOSTEROID SYNTHESES Universität des Saarlandes (DE) 2007-04-04 EP disclosed
US-7199244-B2 Cyclic amine derivatives and methods of use AMGEN (US) 2007-04-03 US disclosed
WO-2006102728-A2 INCLUSION COMPOUNDS OF DIOCLEIN, FLORANOL OR ANALOGS WITH CYCLODEXTRIN AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES UNIVERSIDADE FEDERAL DE MINAS GERAIS (BR) 2006-10-05 WO disclosed
EP-1633743-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATION-RELATED DISORDERS MEDIATED BY BRADYKININ Amgen, Inc. (US) 2006-03-15 EP disclosed
EP-1631542-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF Amgen, Inc. (US) 2006-03-08 EP disclosed
WO-2006008316-A2 SELECTIVE INHIBITORS OF HUMAN CORTICOSTEROID SYNTHESES Universität des Saarlandes (DE) 2006-01-26 WO disclosed
US-20050234044-A1 Cyclic amine derivatives and methods of use AMGEN INC. 2005-10-20 US disclosed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 US disclosed
WO-2004092164-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATION-RELATED DISORDERS MEDIATED BY BRADYKININ AMGEN, INC. (US) 2004-10-28 WO disclosed
WO-2004092116-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF AMGEN, INC. (US) 2004-10-28 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 (7 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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 MAOB 247/4885MAOA 470/4885CASP1 196/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 MAOB 247/4885MAOA 470/4885CASP1 196/4885
US-20090105278-A1 Selective inhibitors of human corticosteroid syntheses HSD11B1, HSD11B2, CYP11B1 MAOB 456/4885MAOA 1449/4885CASP1 3176/4885
US-20220160745-A1 METHODS AND COMPOSITIONS FOR TREATING MOTOR NEURON DISEASES SMN1; SMN2, NNMT, PDE4A MAOB 243/4885MAOA 635/4885CASP1 467/4885
US-20090270495-A1 Inhibitors of Phosphodiesterase Types 1 To 5 Based on Dioclein, Floranol, and Analogs Thereof PDE5A, PDE12, PDE2A MAOB 330/4885MAOA 193/4885CASP1 922/4885
US-20050234044-A1 Cyclic amine derivatives and methods of use PTGIS, BDKRB2, LTC4S MAOB 25/4885MAOA 46/4885CASP1 474/4885
US-12350283-B2 Methods and compositions for treating motor neuron diseases SMN1; SMN2, NNMT, PDE4A MAOB 243/4885MAOA 635/4885CASP1 467/4885

“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.