SCHEMBL21244563

SCHEMBL21244563

CCOC(=O)C1(CBr)CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.41
CYP3A4 P08684 4/20 0.41
ALDH1A1 P00352 5/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 1/20 0.35
OPRM1 P35372 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
F10 P00742 1/20 0.33
TRPA1 O75762 1/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL21244980 0.95 CYP2C19 (0.38) CYP2C19CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL27123245 0.88 CYP2C19 (0.39) CYP2C19CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL4812087 0.87 CYP2C19 (0.42) CYP2C19CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL4811574 0.84 CYP2C19 (0.41) CYP2C19CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL2648433 0.83 CYP2C19 (0.36) CYP2C19CYP3A4CYP2C9TSHRMEN1
SCHEMBL14635820 0.83 CYP2C19 (0.40) CYP2C19CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL1918461 0.83 CYP2C19 (0.40) CYP2C19CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL14880000 0.82 CYP2C19 (0.39) CYP2C19CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL4810386 0.81 SIRT2 (0.40) CYP2C19CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL4804036 0.81 CYP2C19 (0.39) CYP2C19CYP3A4ALDH1A1CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368189-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators VERTEX PHARMA (US) 2024-11-07 US disclosed
US-11866450-B2 Modulators of Cystic Fibrosis Transmembrane Conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-01-09 US disclosed
CN-117285547-A Macrocyclic compounds as modulators of CFTR, pharmaceutical compositions thereof, their use and methods of preparation 弗特克斯药品有限公司 2023-12-26 CN disclosed
CN-112004817-B Macrocyclic compounds as modulators of CFTR, pharmaceutical compositions thereof, their use and methods of preparation 弗特克斯药品有限公司 2023-06-23 CN disclosed
EP-4198037-A1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS Vertex Pharmaceuticals Incorporated (US) 2023-06-21 EP disclosed
EP-4198037-A1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS Vertex Pharmaceuticals Incorporated (US) 2023-06-21 EP disclosed
EP-3752510-B1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM VERTEX PHARMA (US) 2022-12-07 EP disclosed
EP-3752510-B1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM VERTEX PHARMA (US) 2022-12-07 EP disclosed
US-20220106331-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators VERTEX PHARMACEUTICALS INCORPORATED 2022-04-07 US disclosed
US-11066417-B2 Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-20 US disclosed
US-11066417-B2 Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-20 US disclosed
EP-3752510-A1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM Vertex Pharmaceuticals Incorporated (US) 2020-12-23 EP disclosed
CN-112004817-A Macrocyclic compounds as modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions thereof, their use in the treatment of cystic fibrosis, and processes for their preparation 弗特克斯药品有限公司 2020-11-27 CN disclosed
WO-2019161078-A1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-22 WO disclosed
WO-2019161078-A1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-22 WO disclosed
US-20190248809-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-15 US disclosed
US-20190248809-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-15 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 (5 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-20240368189-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators CFTR, SLC26A4, ABCB11 CYP2C19 1459/4885CYP3A4 1611/4885ALDH1A1 1912/4885
US-20220106331-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators CFTR, SLC26A4, ABCB11 CYP2C19 1459/4885CYP3A4 1611/4885ALDH1A1 1912/4885
US-11066417-B2 Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators CFTR, SLC26A4, ABCB11 CYP2C19 1459/4885CYP3A4 1611/4885ALDH1A1 1912/4885
US-11866450-B2 Modulators of Cystic Fibrosis Transmembrane Conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators CFTR, SLC26A4, ABCB11 CYP2C19 1459/4885CYP3A4 1611/4885ALDH1A1 1912/4885
US-20190248809-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators CFTR, SLC26A4, ABCB11 CYP2C19 1459/4885CYP3A4 1611/4885ALDH1A1 1912/4885

“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.