SCHEMBL19469561

SCHEMBL19469561

CC1(C)Cc2c(sc(NC(=O)C(C)(O)C(F)(F)F)c2C(N)=O)C(C)(C)O1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 20/20 0.80

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
SCHEMBL16445392 1.00 CFTR (0.80) CFTR
SCHEMBL16446349 0.91 CFTR (0.83) CFTR
SCHEMBL16445424 0.89 CFTR (1.00) CFTR
SCHEMBL16445365 0.86 CFTR (1.00) CFTR
SCHEMBL16450556 0.84 CFTR (0.80) CFTR
SCHEMBL16445539 0.83 CFTR (0.78) CFTR
SCHEMBL17467829 0.83 CFTR (0.79) CFTR
SCHEMBL17467828 0.83 CFTR (0.76) CFTR
SCHEMBL16445464 0.82 CFTR (0.75) CFTR
SCHEMBL16445844 0.82 CFTR (0.75) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180221334-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GILEAD SCIENCES, INC. 2018-08-09 — — US claimed
CN-114671864-A Heteroaryl substituted pyridines and methods of use 艾伯维公司 2022-06-28 — — CN disclosed
CN-109311864-B Heteroaryl substituted pyridines and methods of use 艾伯维公司 2022-05-10 — — CN disclosed
CN-113912617-A Substituted tricycles and methods of use 艾伯维公司 2022-01-11 — — CN disclosed
CN-108349930-B Substituted tricycles and methods of use 艾伯维公司 2021-10-29 — — CN disclosed
CN-107405337-B Substituted chromans and methods of use 艾伯维公司 2021-02-09 — — CN disclosed
CN-108513574-B N-sulfonylated pyrazolo [3, 4-b ] pyridine-6-carboxamides and methods of use 艾伯维公司 2021-01-05 — — CN disclosed
CN-111954664-A Cystic fibrosis transmembrane conductance regulator and methods of use 艾伯维海外有限公司 2020-11-17 — — CN disclosed
EP-3486246-A1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS Galapagos N.V. (BE) 2019-05-22 — — EP disclosed
EP-3030568-B1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS GALAPAGOS NV (BE) 2018-09-19 — — EP disclosed
US-9895347-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2018-02-20 — — US disclosed
US-20180037587-A1 Substituted Tricyclics and Method of Use ABBVIE S.Á.R.L. (LU) 2018-02-08 — — US disclosed
US-20170305891-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN ABBVIE S.Á.R.L. (LU) 2017-10-26 — — 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 (3 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-20180221334-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 CFTR 1/4885
US-20170305891-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN CFTR, CHRM2, CHRM1 CFTR 1/4885
US-20180037587-A1 Substituted Tricyclics and Method of Use CFTR, F12, CHRM2 CFTR 1/4885

“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.

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