SCHEMBL21245055

SCHEMBL21245055

O=C(O)CC(C1CCC1)C1CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
EPHX1 P07099 3/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
KMT2A Q03164 2/20 0.37
MITF O75030 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NLRP1 Q9C000 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
FFAR1 O14842 1/20 0.35
REN P00797 1/20 0.34
ACE P12821 1/20 0.34

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
SCHEMBL4728813 0.95 ALDH1A1 (0.55) ALDH1A1EPHX1SLC22A6SMN1; SMN2MEN1
SCHEMBL7581255 0.93 ALDH1A1 (0.59) ALDH1A1EPHX1SLC22A6SMN1; SMN2MEN1
SCHEMBL9180285 0.90 ALDH1A1 (0.43) ALDH1A1EPHX1SLC22A6SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL8845279 0.87 ALDH1A1 (0.42) ALDH1A1SLC22A6SMN1; SMN2MEN1LMNA
SCHEMBL7443464 0.80 SLC1A2 (0.40) ALDH1A1MEN1LMNAKMT2AFFAR1
SCHEMBL7495284 0.78 ALDH1A1 (0.48) ALDH1A1SLC22A6SMN1; SMN2LMNATP53
SCHEMBL29951463 0.76 ALDH1A1 (0.52) ALDH1A1EPHX1SLC22A6LMNATDP1
SCHEMBL29955709 0.76 ALDH1A1 (0.52) ALDH1A1EPHX1SLC22A6LMNATDP1
SCHEMBL27598543 0.76 ALDH1A1 (0.47) ALDH1A1SLC22A6SMN1; SMN2TDP1FFAR1
SCHEMBL2398177 0.76 ALDH1A1 (0.52) ALDH1A1EPHX1SLC22A6TP53TDP1

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-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
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
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
US-20220106331-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators VERTEX PHARMACEUTICALS INCORPORATED 2022-04-07 US disclosed
US-11066417-B2 Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-20 US disclosed
US-11066417-B2 Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-20 US disclosed
EP-3752510-A1 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 Pharmaceuticals Incorporated (US) 2020-12-23 EP disclosed
WO-2019161078-A1 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 PHARMACEUTICALS INCORPORATED (US) 2019-08-22 WO disclosed
US-20190248809-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-15 US disclosed
US-20190248809-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-15 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 (5 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 ALDH1A1 1912/4885EPHX1 1616/4885SLC22A6 103/4885
US-20220106331-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators CFTR, SLC26A4, ABCB11 ALDH1A1 1912/4885EPHX1 1616/4885SLC22A6 103/4885
US-11066417-B2 Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators CFTR, SLC26A4, ABCB11 ALDH1A1 1912/4885EPHX1 1616/4885SLC22A6 103/4885
US-11866450-B2 Modulators of Cystic Fibrosis Transmembrane Conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators CFTR, SLC26A4, ABCB11 ALDH1A1 1912/4885EPHX1 1616/4885SLC22A6 103/4885
US-20190248809-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators CFTR, SLC26A4, ABCB11 ALDH1A1 1912/4885EPHX1 1616/4885SLC22A6 103/4885

“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.