SCHEMBL17239797

SCHEMBL17239797

Nc1nc(N)c(C(=O)N=C2NCC3(CCN(C(=O)c4cccc(S(=O)(=O)NCCC(=O)OCC(=O)OC5CCCCC5)c4)CC3)N2)nc1Cl

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
APEX1 P27695 1/20 0.35
ENPP2 Q13822 1/20 0.33
ATXN2 Q99700 1/20 0.33
HSD11B1 P28845 2/20 0.32
PKM P14618 2/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL782635 1.00 ALDH1A1 (0.35) ALDH1A1LMNAMAPK1SMN1; SMN2APEX1
SCHEMBL781957 0.87 DDR1 (0.36) ALDH1A1LMNAMAPK1SMN1; SMN2APEX1
SCHEMBL781955 0.87 DDR1 (0.36) ALDH1A1LMNAMAPK1SMN1; SMN2APEX1
SCHEMBL29798955 0.87 DDR1 (0.36) ALDH1A1LMNAMAPK1SMN1; SMN2APEX1
SCHEMBL781954 0.86 ALDH1A1 (0.40) ALDH1A1LMNAMAPK1SMN1; SMN2ENPP2
SCHEMBL781952 0.86 ALDH1A1 (0.40) ALDH1A1LMNAMAPK1SMN1; SMN2ENPP2
SCHEMBL781524 0.86 ALDH1A1 (0.38) ALDH1A1LMNAMAPK1SMN1; SMN2ENPP2
SCHEMBL781526 0.86 ALDH1A1 (0.38) ALDH1A1LMNAMAPK1SMN1; SMN2ENPP2
SCHEMBL29798818 0.86 ALDH1A1 (0.35) ALDH1A1LMNAMAPK1SMN1; SMN2ENPP2
SCHEMBL29798819 0.86 ALDH1A1 (0.35) ALDH1A1LMNAMAPK1SMN1; SMN2ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-04-09 US disclosed
EP-4223294-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2023-08-09 EP disclosed
EP-3925607-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2021-12-22 EP disclosed
US-20210308053-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 US disclosed
EP-3424534-B1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMA (US) 2021-06-02 EP disclosed
US-10980746-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-20 US disclosed
US-20190125674-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-02 US disclosed
US-10206877-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-02-19 US disclosed
EP-3424534-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2019-01-09 EP disclosed
EP-3131582-B1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMA (US) 2018-05-23 EP disclosed
US-20150320736-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED 2015-11-12 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 (6 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-20210308053-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES CFTR, SLC26A4, PKD1 ALDH1A1 2648/4885LMNA 3070/4885MAPK1 4396/4885
US-20150320736-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES CFTR, SLC26A4, PKD1 ALDH1A1 2648/4885LMNA 3070/4885MAPK1 4396/4885
US-10980746-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 ALDH1A1 2648/4885LMNA 3070/4885MAPK1 4396/4885
US-20190125674-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES CFTR, SLC26A4, PKD1 ALDH1A1 2648/4885LMNA 3070/4885MAPK1 4396/4885
US-10206877-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 ALDH1A1 2648/4885LMNA 3070/4885MAPK1 4396/4885
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 ALDH1A1 2648/4885LMNA 3070/4885MAPK1 4396/4885

“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.