SCHEMBL254366

SCHEMBL254366

OCc1cc(C(O)CNCC(F)C(F)C(F)C(F)COCCCc2ccccc2)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.66
ADRB1 P08588 13/20 0.66
ADRB3 P13945 12/20 0.66
ADRA1D P25100 2/20 0.66
KDM4E B2RXH2 2/20 0.66
MEN1 O00255 2/20 0.66
TP53 P04637 2/20 0.66
CYP3A4 P08684 2/20 0.66
MAPK1 P28482 2/20 0.66
KMT2A Q03164 2/20 0.66
HTR1A P08908 1/20 0.66
CHRM5 P08912 1/20 0.66
DRD2 P14416 1/20 0.66
ADRA2B P18089 1/20 0.66
DRD4 P21917 1/20 0.66
SLC6A2 P23975 1/20 0.66
FPR3 P25089 1/20 0.66
HTR1D P28221 1/20 0.66
HTR1B P28222 1/20 0.66
HTR2A P28223 1/20 0.66

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
SCHEMBL20162374 0.82 ADRB2 (0.57) ADRB2ADRB1ADRB3ADRA1DKDM4E
SCHEMBL4454918 0.81 ADRB2 (0.96) ADRB2ADRB1ADRB3ADRA1DKDM4E
SCHEMBL14017126 0.81 ADRB2 (0.96) ADRB2ADRB1ADRB3ADRA1DKDM4E
Salmeterol SCHEMBL4768 0.79 ADRB2 (1.00) ADRB2ADRB1ADRB3ADRA1DKDM4E
Salmeterol SCHEMBL4767 0.79 ADRB2 (1.00) ADRB2ADRB1ADRB3ADRA1DKDM4E
Salmeterol SCHEMBL4452108 0.79 ADRB2 (1.00) ADRB2ADRB1ADRB3ADRA1DKDM4E
Salmeterol SCHEMBL29397921 0.79 ADRB2 (1.00) ADRB2ADRB1ADRB3ADRA1DKDM4E
Salmeterol SCHEMBL29393289 0.79 ADRB2 (1.00) ADRB2ADRB1ADRB3ADRA1DKDM4E
SCHEMBL4450046 0.79 ADRB2 (1.00) ADRB2ADRB1ADRB3ADRA1DKDM4E
SCHEMBL10700013 0.79 ADRB2 (0.92) ADRB2ADRB1ADRB3ADRA1DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-04-09 US disclosed
EP-4223294-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2023-08-09 EP disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
EP-3925607-B1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMA (US) 2023-06-28 EP disclosed
EP-3436446-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-06-07 EP disclosed
EP-3925607-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2021-12-22 EP disclosed
US-20210308053-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 US disclosed
US-10980746-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-20 US disclosed
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-25 US disclosed
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-09-01 US disclosed
WO-2010015523-A1 CYCLOHEXYLOXY-SUBSTITUTED HETEROCYCLICS, MEDICINES CONTAINING THESE COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-11 WO disclosed
WO-2010015522-A1 CYCLOHEXYLOXY-SUBSTITUTED HETEROCYCLICS, MEDICINES CONTAINING THESE COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-11 WO disclosed
EP-2114945-A1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
WO-2009098061-A1 SPIROCYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-13 WO disclosed
EP-2079725-A1 PIPERIDYL-PROPANE-THIOL CCR3 MODULATORS Boehringer Ingelheim International GmbH (DE) 2009-07-22 EP disclosed
EP-2079731-A1 NOVEL SUBSTITUTED PIPERIDYL-PROPANE-THIOLS Boehringer Ingelheim International GmbH (DE) 2009-07-22 EP disclosed
WO-2008092831-A1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-07 WO disclosed
EP-1953163-A1 Pteridinone derivatives as PI3-kinases inhibitors Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-06 EP disclosed
WO-2008049875-A1 NOVEL SUBSTITUTED PIPERIDYL-PROPANE-THIOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-02 WO disclosed
WO-2008049874-A1 PIPERIDYL-PROPANE-THIOL CCR3 MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-02 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 (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-20210308053-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES CFTR, SLC26A4, PKD1 ADRB2 1836/4885ADRB1 1307/4885ADRB3 1299/4885
US-10980746-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 ADRB2 1836/4885ADRB1 1307/4885ADRB3 1299/4885
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ADRB2 522/4885ADRB1 308/4885ADRB3 421/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ADRB2 522/4885ADRB1 308/4885ADRB3 421/4885
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 ADRB2 1836/4885ADRB1 1307/4885ADRB3 1299/4885
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 ADRB2 522/4885ADRB1 308/4885ADRB3 421/4885

“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.