SCHEMBL20030441

SCHEMBL20030441

Cn1ccc(OCC2(C(F)(F)F)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CFTR P13569 18/20 0.37
KDM1A O60341 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
SCHEMBL20261012 0.94 CFTR (0.39) CFTR
SCHEMBL20029735 0.85 CFTR (0.39) CFTRKDM1A
SCHEMBL21288456 0.82 CFTR (0.36) CFTR
SCHEMBL20260592 0.81 CFTR (0.35) CFTR
SCHEMBL21256475 0.80 PKM (0.35) CFTR
SCHEMBL20029658 0.79 CFTR (0.40) CFTR
SCHEMBL23862550 0.78 CFTR (0.35) CFTR
SCHEMBL21274809 0.77 CFTR (0.40) CFTR
SCHEMBL23862548 0.77 CFTR (0.39) CFTR
SCHEMBL20030521 0.77 CFTR (0.39) CFTRKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-11186566-B2 Modulator of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-11-30 US disclosed
US-20210047295-A1 MODULATOR OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR VERTEX PHARMACEUTICALS INCORPORATED 2021-02-18 US disclosed
US-10793547-B2 Modulator of the cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-10-06 US disclosed
US-20200283405-A1 MODULATOR OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2020-09-10 US disclosed
US-10570115-B2 Modulator of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-02-25 US 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-20180162839-A1 Modulator of the Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulator VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2018-06-14 US disclosed
US-20180093969-A1 Modulator of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulator VERTEX PHARMACEUTICALS INCORPORATED 2018-04-05 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 (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-10570115-B2 Modulator of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator CFTR, SLC26A4, ABCB11 CFTR 1/4885KDM1A 4297/4885
US-20200283405-A1 MODULATOR OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR CFTR, SLC26A4, ABCB11 CFTR 1/4885KDM1A 4297/4885
US-20180093969-A1 Modulator of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulator CFTR, SLC26A4, ABCB11 CFTR 1/4885KDM1A 4297/4885
US-11186566-B2 Modulator of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator CFTR, SLC26A4, ABCB11 CFTR 1/4885KDM1A 4297/4885
US-20180162839-A1 Modulator of the Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulator CFTR, SLC26A4, TMEM109 CFTR 1/4885KDM1A 3585/4885
US-20210047295-A1 MODULATOR OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR CFTR, SLC26A4, TMEM109 CFTR 1/4885KDM1A 3585/4885
US-10793547-B2 Modulator of the cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator CFTR, SLC26A4, TMEM109 CFTR 1/4885KDM1A 3585/4885

“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.