SCHEMBL3919478

SCHEMBL3919478

NS(=O)(=O)c1cccc(I)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.70
CA1 P00915 11/20 0.70
CA9 Q16790 13/20 0.59
CA12 O43570 10/20 0.59
CA14 Q9ULX7 4/20 0.59
CA4 P22748 3/20 0.59
CA7 P43166 4/20 0.52
CA5A P35218 3/20 0.52
CA6 P23280 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
CA3 P07451 1/20 0.52
PLA2G7 Q13093 1/20 0.52
CA13 Q8N1Q1 1/20 0.52
NOS1 P29475 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL2398133 0.83 CA2 (1.00) CA2CA1CA9CA12CA14
SCHEMBL30084552 0.81 LMNA (0.54) CA2CA1CA9CA12CA14
SCHEMBL3677379 0.81 LMNA (0.54) CA2CA1CA9CA12CA14
SCHEMBL8960195 0.79 CA1 (0.41) CA2CA1CA9CA12CA14
Benzenesulfonamide SCHEMBL5671646 0.79 CA2 (0.76) CA2CA1CA9CA12CA14
SCHEMBL3667501 0.77 ALDH1A1 (0.42) CA2CA1
SCHEMBL30628286 0.77 ALDH1A1 (0.42) CA2CA1
SCHEMBL19122490 0.77 CA2 (0.39) CA2CA1CA9CA12CA14
SCHEMBL486222 0.77 ALDH1A1 (0.52) CA2CA1CA9CA12CA14
SCHEMBL3371316 0.77 ALDH1A1 (0.57) CA2CA1CA9CA12LMNA

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024115549-A1 ARYL- AND HETEROARYL-SULFONAMIDE DERIVATIVES AS CCR8 MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-06 WO claimed
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
WO-2024115549-A1 ARYL- AND HETEROARYL-SULFONAMIDE DERIVATIVES AS CCR8 MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-06 WO 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
CN-1501911-A Phenethanolamine derivatives for treatment of respiratory diseases 2004-06-02 CN disclosed
EP-1395604-A1 NOVEL ANTI INFLAMMATORY 17.ALPHA.-HETEROCYCLIC-ESTERS OF 17.BETA.-CARBOTHIOATE ANDROSTANE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-03-10 EP disclosed
EP-1383786-A1 ANTI-INFLAMMATORY 17.BETA.-CARBOTHIOATE ESTER DERIVATIVES OF ANDROSTANE WITH A CYCLIC ESTER GROUP IN POSITION 17.ALPHA GLAXO GROUP LIMITED (GB) 2004-01-28 EP disclosed
EP-1370521-A1 FORMANILIDE DERIVATIVES AS BETA2-ADRENORECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2003-12-17 EP disclosed
EP-1360174-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-11-12 EP disclosed
WO-2003035668-A2 NOVEL ANTI-INFLAMMATORY ANDROSTANE DERIVATIVES -17-CARBOXY-LACTONE SUBSTITUTED STEROIDS WITH AN ARYL-CARBOXYLIC ESTER IN POSITION 17.ALPHA GLAXO GROUP LIMITED (GB) 2003-05-01 WO disclosed
WO-2002100879-A1 NOVEL ANTI-INFLAMMATORY 17.ALPHA.-HETEROCYCLIC-ESTERS OF 17.BETA.CARBOTHIOATE ANDROSTANE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-12-19 WO disclosed
WO-2002088167-A1 ANTI-INFLAMMATORY 17.BETA.-CARBOTHIOATE ESTER DERIVATIVES OF ANDROSTANE WITH A CYCLIC ESTER GROUP IN POSITION 17.ALPHA GLAXO GROUP LIMITED (GB) 2002-11-07 WO disclosed
WO-2002076933-A1 FORMAILIDE DERIVATIVES AS BETA2-ADRENORECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2002-10-03 WO disclosed
WO-2002066422-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2002-08-29 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 (2 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 CA2 1541/4885CA1 4785/4885CA9 2826/4885
US-11866450-B2 Modulators of Cystic Fibrosis Transmembrane Conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators CFTR, SLC26A4, ABCB11 CA2 1541/4885CA1 4785/4885CA9 2826/4885

“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.