SCHEMBL20029658

SCHEMBL20029658

CC(=O)n1ccc(OCC2(C(F)(F)F)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CFTR P13569 18/20 0.40
TSHR P16473 2/20 0.36
FSHR P23945 2/20 0.36

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
SCHEMBL21274809 0.88 CFTR (0.40) CFTR
SCHEMBL20023965 0.86 CFTR (0.39) CFTR
SCHEMBL20029455 0.82 CFTR (0.40) CFTR
SCHEMBL20024104 0.81 ACACB (0.36)
SCHEMBL20030441 0.79 CFTR (0.37) CFTR
SCHEMBL20029653 0.79 CFTR (0.37) CFTR
SCHEMBL23862550 0.78 CFTR (0.35) CFTR
SCHEMBL20030617 0.78 CFTR (0.33) CFTR
SCHEMBL21288456 0.77 CFTR (0.36) CFTR
SCHEMBL26809680 0.77 CFTR (0.33) CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109803962-B Modulators of cystic fibrosis transmembrane conductance regulator proteins, and pharmaceutical compositions 弗特克斯药品有限公司 2022-04-29 CN 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
EP-3519401-B1 MODULATOR OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR VERTEX PHARMA (US) 2021-09-29 EP 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-2018064632-A1 MODULATOR OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-04-05 WO 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 (4 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 1/4885TSHR 1168/4885FSHR 671/4885
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 1/4885TSHR 1168/4885FSHR 671/4885
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 1/4885TSHR 1168/4885FSHR 671/4885
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 1/4885TSHR 1168/4885FSHR 671/4885

“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.