SCHEMBL21244795

SCHEMBL21244795

CC1(C)C[C@H](CCCNc2cccc(S(N)(=O)=O)n2)CN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.36
CASR P41180 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.31
KIF18A Q8NI77 1/20 0.31
P2RX7 Q99572 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30

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
SCHEMBL21245024 1.00 SMYD3 (0.36) SMYD3CASRSCN10AKIF18AP2RX7
SCHEMBL21244779 1.00 SMYD3 (0.36) SMYD3CASRSCN10AKIF18AP2RX7
SCHEMBL21244681 0.97 SMYD3 (0.36) SMYD3CASRSCN10AKIF18AP2RX7
SCHEMBL21274946 0.97 SMYD3 (0.36) SMYD3CASRSCN10AKIF18AP2RX7
SCHEMBL21275102 0.96 SMYD3 (0.35) SMYD3CASRSCN10AKIF18AP2RX7
SCHEMBL21244622 0.96 SMYD3 (0.35) SMYD3CASRSCN10AKIF18AP2RX7
SCHEMBL21275110 0.94 SMYD3 (0.34) SMYD3CASRSCN10AKIF18ACA1
SCHEMBL21244591 0.94 SMYD3 (0.34) SMYD3CASRSCN10AKIF18ACA1
SCHEMBL21275387 0.93 SMYD3 (0.35) SMYD3CASRSCN10AKIF18ACCNT1
SCHEMBL21244609 0.93 SMYD3 (0.35) SMYD3CASRSCN10AKIF18ACCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013741-B1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMA (US) 2024-04-17 EP disclosed
US-11873300-B2 Crystalline forms of CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-01-16 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
US-20230399343-A1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-12-14 US disclosed
EP-4259139-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS Vertex Pharmaceuticals Incorporated (US) 2023-10-18 EP disclosed
US-20230303589-A1 CRYSTALLINE FORMS OF CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2023-09-28 US disclosed
EP-4218754-A2 METHODS OF TREATMENT FOR CYSTIC FIBROSIS Vertex Pharmaceuticals Incorporated (US) 2023-08-02 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
US-11591350-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-28 US disclosed
EP-3880197-B1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS VERTEX PHARMA (US) 2023-02-22 EP disclosed
WO-2021030556-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed
WO-2021030554-A1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed
WO-2021030555-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed
WO-2021030552-A1 CRYSTALLINE FORMS OF CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed
US-20210047345-A1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2021-02-18 US disclosed
US-20210047323-A1 CRYSTALLINE FORMS OF CFTR MODULATORS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2021-02-18 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-2020102346-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-22 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20230399343-A1 PROCESS OF MAKING CFTR MODULATORS CFTR, SLC26A4, TMEM109 SMYD3 4442/4885CASR 998/4885SCN10A 352/4885
US-11873300-B2 Crystalline forms of CFTR modulators CFTR, SLC26A4, AQP1 SMYD3 4671/4885CASR 585/4885SCN10A 248/4885
US-20210047323-A1 CRYSTALLINE FORMS OF CFTR MODULATORS CFTR, SLC26A4, AQP1 SMYD3 4671/4885CASR 585/4885SCN10A 248/4885
US-11591350-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1G, SCNN1B SMYD3 3615/4885CASR 215/4885SCN10A 123/4885
US-11866450-B2 Modulators of Cystic Fibrosis Transmembrane Conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators CFTR, SLC26A4, ABCB11 SMYD3 3844/4885CASR 361/4885SCN10A 338/4885
US-20190248809-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators CFTR, SLC26A4, ABCB11 SMYD3 3844/4885CASR 361/4885SCN10A 338/4885
US-20210047345-A1 PROCESS OF MAKING CFTR MODULATORS CFTR, SLC26A4, TMEM109 SMYD3 4442/4885CASR 998/4885SCN10A 352/4885
US-20230303589-A1 CRYSTALLINE FORMS OF CFTR MODULATORS CFTR, SLC26A4, ABCC4 SMYD3 4596/4885CASR 1638/4885SCN10A 353/4885

“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.