SCHEMBL29372103

SCHEMBL29372103

O=C(O)c1ccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)cc3ccccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CFTR P13569 20/20 0.64
NR1I2 O75469 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
CYP2C8 P10632 1/20 0.64
CYP2C9 P11712 1/20 0.64
ADRA1A P35348 1/20 0.64
PDE4D Q08499 1/20 0.64

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
SCHEMBL3255376 1.00 CFTR (0.64) CFTRNR1I2ADORA3CYP2C8CYP2C9
SCHEMBL2927265 0.94 CFTR (0.64) CFTRNR1I2ADORA3CYP2C8CYP2C9
SCHEMBL20171802 0.93 CFTR (0.58) CFTRNR1I2ADORA3CYP2C8CYP2C9
Hydrochloric Acid SCHEMBL17074569 0.93 CFTR (0.63) CFTRNR1I2ADORA3CYP2C8CYP2C9
SCHEMBL3040343 0.92 CFTR (0.76) CFTRNR1I2ADORA3CYP2C8CYP2C9
SCHEMBL25917885 0.92 CFTR (0.59) CFTRNR1I2ADORA3CYP2C8CYP2C9
SCHEMBL3042594 0.92 CFTR (0.57) CFTRNR1I2ADORA3CYP2C8CYP2C9
SCHEMBL20628576 0.92 CFTR (0.59) CFTRNR1I2ADORA3CYP2C8CYP2C9
SCHEMBL19418866 0.90 CFTR (0.55) CFTRNR1I2ADORA3CYP2C8CYP2C9
SCHEMBL4173401 0.90 CFTR (0.55) CFTRNR1I2ADORA3CYP2C8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
EP-4188365-A2 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR) MODULATORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Emory University (US) 2023-06-07 EP disclosed
EP-3798214-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2022-09-14 EP disclosed
CN-110840847-B Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2022-07-29 CN disclosed
WO-2022026863-A2 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR) MODULATORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF EMORY UNIVERSITY (US) 2022-02-03 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 (1 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-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CFTR 1/4885NR1I2 767/4885ADORA3 514/4885

“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.