SCHEMBL17457

SCHEMBL17457

CC1(C)OB(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)OC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.50
NR1H3 Q13133 10/20 0.50
LPL P06858 6/20 0.50
LIPG Q9Y5X9 6/20 0.50
F11 P03951 3/20 0.47
F2 P00734 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47

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
SCHEMBL13507405 0.86 LPL (0.50) LPLLIPGF11F2PRSS1
SCHEMBL25688 0.85 LPL (0.49) LPLLIPGF11F2PRSS1
SCHEMBL18615134 0.82 LPL (0.53) LPLLIPGF11F2PRSS1
SCHEMBL21370131 0.82 LPL (0.53) LPLLIPGF11F2PRSS1
SCHEMBL4290411 0.82 LPL (0.53) LPLLIPGF11F2PRSS1
SCHEMBL418767 0.82 LPL (0.56) LPLLIPGF11F2PRSS1
SCHEMBL15615747 0.81 LPL (0.49) LPLLIPGF11F2PRSS1
SCHEMBL2030174 0.81 LIPG (0.43) NR1H2NR1H3LPLLIPGF11
SCHEMBL25985482 0.81 LIPG (0.54) NR1H2NR1H3LPLLIPGF11
SCHEMBL18595639 0.81 LPL (0.45) LPLLIPGF11F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400555-A1 Compounds, Compositions and Methods for Attenuation of Mammalian Translation of C-MYC or N-MYC Proteins of the MYC Proto-Oncogene Family of BHLH Transcription Factors INITIAL THERAPEUTICS, INC. (US) 2024-12-05 US disclosed
WO-2024226875-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR ATTENUATION OF MAMMALIAN TRANSLATION OF C-MYC OR N-MYC PROTEINS OF THE MYC PROTO-ONCOGENE FAMILY OF BHLH TRANSCRIPTION FACTORS INITIAL THERAPEUTICS, INC. (US) 2024-10-31 WO disclosed
CN-113666853-B Biaryl compounds useful as ROR gamma modulators 上海辉启生物医药科技有限公司 2023-04-18 CN disclosed
WO-2022095971-A1 SPIRO HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海医药集团股份有限公司 2022-05-12 WO disclosed
CN-114437096-A Spiro-heterocyclic compound, and preparation method and application thereof 上海医药集团股份有限公司 2022-05-06 CN disclosed
US-20220106323-A1 SPIROCYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2022-04-07 US disclosed
US-20220106323-A1 SPIROCYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2022-04-07 US disclosed
US-20220106329-A1 BICYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B V (US) 2022-04-07 US disclosed
US-11242350-B2 Spirocyclic ROR-gamma modulators ESCALIER BIOSCIENCES B.V. (US) 2022-02-08 US disclosed
US-11242350-B2 Spirocyclic ROR-gamma modulators ESCALIER BIOSCIENCES B.V. (US) 2022-02-08 US disclosed
US-7956052-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-07 US disclosed
US-20100087435-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-20100087435-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
WO-2010023317-A1 NOVEL HEXAFLUORO-2-BIPHENYLISOPROPANOL COMPOUNDS THAT MODULATE LXR-TYPE RECEPTORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS IN HUMAN AND VETERINARY MEDICINE AND ALSO IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-03-04 WO disclosed
US-7659268-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-02-09 US disclosed
US-7659268-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-02-09 US disclosed
US-7659268-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-02-09 US disclosed
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 US disclosed
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 US disclosed
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 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 (6 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-20100087435-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 NR1H2 149/4885NR1H3 191/4885LPL 580/4885
US-11242350-B2 Spirocyclic ROR-gamma modulators RORA, RORC, RORB NR1H2 11/4885NR1H3 13/4885LPL 1723/4885
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis CFTR, ABCC8, ABCB1 NR1H2 493/4885NR1H3 955/4885LPL 2155/4885
US-20240400555-A1 Compounds, Compositions and Methods for Attenuation of Mammalian Translation of C-MYC or N-MYC Proteins of the MYC Proto-Oncogene Family of BHLH Transcription Factors MYCBP, MYC, MYCBP2 NR1H2 1061/4885NR1H3 1039/4885LPL 3618/4885
US-20220106323-A1 SPIROCYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB NR1H2 11/4885NR1H3 13/4885LPL 1723/4885
US-20220106329-A1 BICYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB NR1H2 11/4885NR1H3 14/4885LPL 2093/4885

“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.