SCHEMBL398120

SCHEMBL398120

Nc1ccccc1-c1ccccc1OC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
HSD11B1 P28845 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.45
KCNN4 O15554 1/20 0.44
MPL P40238 1/20 0.43
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
CNR2 P34972 1/20 0.41
SCN9A Q15858 4/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TRPA1 O75762 1/20 0.41
HSD17B10 Q99714 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL7701143 0.87 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD11B1SCN10AKCNN4
SCHEMBL4379377 0.87 MPL (0.43) ALDH1A1L3MBTL1HSD11B1SCN10AKCNN4
SCHEMBL14744548 0.84 MPL (0.41) ALDH1A1L3MBTL1HSD11B1SCN10AKCNN4
SCHEMBL29893374 0.83 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD11B1MPLALOX5AP
SCHEMBL112134 0.83 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD11B1MPLALOX5AP
Hydrochloric Acid SCHEMBL4379610 0.81 ALDH1A1 (0.48) ALDH1A1L3MBTL1MPLALOX5APFEN1
Hydrochloric Acid SCHEMBL27585317 0.81 ALDH1A1 (0.48) ALDH1A1L3MBTL1MPLALOX5APFEN1
SCHEMBL7731913 0.80 ALDH1A1 (0.52) ALDH1A1L3MBTL1HSD11B1KDM4EMAPT
SCHEMBL30396396 0.79 SCN10A (0.42) ALDH1A1L3MBTL1HSD11B1SCN10AKCNN4
SCHEMBL18837747 0.79 HSD11B1 (0.47) ALDH1A1L3MBTL1HSD11B1MPLSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-10364226-B2 Pyridazinone compounds and uses thereof ALIOS BIOPHARMA, INC. (US) 2019-07-30 US disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
EP-3030549-B1 PYRIDAZINONE COMPOUNDS AND USES THEREOF ALIOS BIOPHARMA INC (US) 2019-02-20 EP disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
CN-103842341-B Estrogen receptor ligands 卡罗生物股份公司 2017-05-31 CN disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US disclosed
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
EP-1013651-B1 O-(PERFLUOROALKYL)DIBENZOFURANIUM SALT DERIVATIVES, INTERMEDIATES FOR THE PREPARATION OF THE SAME, PROCESS FOR THE PREPARATION OF THE INTERMEDIATES, PERFLUOROALKYLATING AGENTS, AND PROCESS FOR PERFLUOROALKYLATION DAIKIN IND LTD (JP) 2007-05-30 EP disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
EP-1013651-A1 O-(PERFLUOROALKYL)DIBENZOFURANIUM SALT DERIVATIVES, INTERMEDIATES FOR THE PREPARATION OF THE SAME, PROCESS FOR THE PREPARATION OF THE INTERMEDIATES, PERFLUOROALKYLATING AGENTS, AND PROCESS FOR PERFLUOROALKYLATION Daikin Industries, Limited (JP) 2000-06-28 EP disclosed
CN-1211743-A Multi-domain STN LCD comprising fluorinated polyimide alignment layers MERCK PATENT GMBH (DE) 1999-03-24 CN disclosed
EP-0084743-A1 Process for the preparation of alpha, alpha-difluoroalkoxy or alpha, alphadifluoroalkylthiophenyl sulfones RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1983-08-03 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 (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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885HSD11B1 2076/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885HSD11B1 2076/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885HSD11B1 2076/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885HSD11B1 2076/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 ALDH1A1 2651/4885L3MBTL1 3929/4885HSD11B1 2816/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 ALDH1A1 2221/4885L3MBTL1 3693/4885HSD11B1 2138/4885
US-10364226-B2 Pyridazinone compounds and uses thereof PDXK, PNPO, PLPBP ALDH1A1 2151/4885L3MBTL1 3874/4885HSD11B1 3383/4885

“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.