SCHEMBL3822809

SCHEMBL3822809

COc1ccc(S(=O)(=O)N2CCN(C(C)c3nc(OC4CCCCC4)c4ccccc4n3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 1.00
GBA1 P04062 5/20 0.49
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD11B1 P28845 1/20 0.47
ALDH1A1 P00352 2/20 0.46
PKM P14618 3/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.44
PKLR P30613 1/20 0.44
RAB9A P51151 1/20 0.44
THRB P10828 1/20 0.43
CCR6 P51684 1/20 0.43

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
SCHEMBL29428909 1.00 CFTR (1.00) CFTRGBA1KDM4EGAAMAPT
SCHEMBL3824415 0.99 CFTR (0.98) CFTRGBA1KDM4EGAAMAPT
SCHEMBL3839480 0.97 CFTR (0.95) CFTRGBA1KDM4EGAAMAPT
SCHEMBL3825231 0.93 CFTR (0.87) CFTRGBA1KDM4EGAAMAPT
SCHEMBL3822320 0.92 CFTR (0.86) CFTRGBA1KDM4EGAAMAPT
SCHEMBL15457326 0.92 CFTR (0.86) CFTRGBA1KDM4EGAAMAPT
SCHEMBL15790076 0.90 CFTR (0.82) CFTRGBA1KDM4EGAAMAPT
SCHEMBL3822475 0.89 CFTR (0.81) CFTRGBA1KDM4EMAPTSMN1; SMN2
SCHEMBL3824562 0.89 CFTR (0.81) CFTRGBA1KDM4EGAAMAPT
SCHEMBL3821097 0.89 CFTR (0.80) CFTRGBA1KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925317-B1 A CFTR CORRECTOR FOR THE TEATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE UNIV DEGLI STUDI PADOVA (IT) 2019-09-04 EP claimed
US-20180221347-A1 CFTR CORRECTOR FOR THE TREATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE UNIVERSITA' DEGLI STUDI DI PADOVA (IT) 2018-08-09 US claimed
US-9987256-B2 CFTR corrector for the treatment of genetic disorders affecting striated muscle UNIVERSITA' DEGLI STUDI DI PADOVA (IT) 2018-06-05 US claimed
US-20180055873-A1 USE OF ALGINATE OLIGOMERS AND CFTR MODULATORS IN THE TREATMENT OF CONDITIONS ASSOCIATED WITH CFTR DYSFUNCTION ALGIPHARMA AS (NO) 2018-03-01 US claimed
US-20160108406-A1 METHOD OF REGULATING CFTR EXPRESSION AND PROCESSING UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-04-21 US claimed
US-20150328217-A1 A CFTR CORRECTOR FOR THE TREATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE UNIVERSITA' DEGLI STUDI DI PADOVA (IT) 2015-11-19 US claimed
US-11988661-B2 Rapid quantitative test to diagnose polycystic kidney disease UMC UTRECHT HOLDING, B.V. (NL) 2024-05-21 US disclosed
EP-4245302-A1 CFTR MODULATORS FOR THE TREATMENT OF VASCULAR DISEASE Charité - Universitätsmedizin Berlin (DE) 2023-09-20 EP disclosed
US-20210333266-A1 RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL UMC UTRECHT HOLDING, B.V. (NL) 2021-10-28 US disclosed
US-20210333266-A1 RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL UMC UTRECHT HOLDING, B.V. (NL) 2021-10-28 US disclosed
US-11035852-B2 Identifying drug candidates for treating polycystic kidney disease using organoids generated from primary cells UMC UTRECHT HOLDING, B.V. (NL) 2021-06-15 US disclosed
US-11035852-B2 Identifying drug candidates for treating polycystic kidney disease using organoids generated from primary cells UMC UTRECHT HOLDING, B.V. (NL) 2021-06-15 US disclosed
EP-2925317-B1 A CFTR CORRECTOR FOR THE TEATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE UNIV DEGLI STUDI PADOVA (IT) 2019-09-04 EP disclosed
US-8642609-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-04 US disclosed
US-8642609-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-04 US disclosed
EP-1646615-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2009-08-26 EP disclosed
EP-1646615-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2009-08-26 EP disclosed
EP-1646615-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2006-04-19 EP disclosed
US-20050059687-A1 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-03-17 US disclosed
WO-2004111014-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-12-23 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 (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-20180221347-A1 CFTR CORRECTOR FOR THE TREATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE CFTR, CLCN2, ATP4A CFTR 1/4885GBA1 23/4885KDM4E 4734/4885
US-20150328217-A1 A CFTR CORRECTOR FOR THE TREATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE CFTR, CLCN2, ATP4A CFTR 1/4885GBA1 14/4885KDM4E 4745/4885
US-20160108406-A1 METHOD OF REGULATING CFTR EXPRESSION AND PROCESSING CFTR, NEDD8, SCNN1B CFTR 1/4885GBA1 1993/4885KDM4E 3073/4885
US-20050059687-A1 Modulators of ATP-Binding Cassette transporters CFTR, ABCB1, ABCC2 CFTR 1/4885GBA1 575/4885KDM4E 4337/4885

“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.