SCHEMBL22943261

SCHEMBL22943261

CC(C)n1ccc(OCC(C)(C)C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DYRK1A Q13627 1/20 0.33
CFTR P13569 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
SCHEMBL28149986 0.86 HDAC1 (0.40) HDAC1HDAC6DYRK1A
SCHEMBL17658980 0.84 NUDT1 (0.40) HDAC1HDAC6DYRK1A
SCHEMBL20260744 0.80 CFTR (0.37) CFTR
SCHEMBL22943013 0.77 ALDH1A1 (0.32) CFTR
SCHEMBL20759271 0.74 DYRK1A (0.37) HDAC1HDAC6DYRK1A
SCHEMBL21468722 0.74 DYRK1A (0.37) HDAC1HDAC6DYRK1A
SCHEMBL23364840 0.74 CFTR (0.35) CFTR
SCHEMBL20239860 0.74 L3MBTL1 (0.35) CFTR
SCHEMBL21468591 0.74
SCHEMBL22943016 0.73 DYRK1A (0.33) HDAC1HDAC6DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220257564-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-08-18 US disclosed
US-20210139514-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2021-05-13 US disclosed
US-20210032272-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR VERTEX PHARMACEUTICALS INCORPORATED 2021-02-04 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 (3 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-20210032272-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR CFTR, SCNN1G, CLCN2 HDAC1 3523/4885HDAC6 1286/4885DYRK1A 4665/4885
US-20210139514-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B HDAC1 3207/4885HDAC6 1313/4885DYRK1A 4647/4885
US-20220257564-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING CYSTIC FIBROSIS CFTR, PKD1, ABCB11 HDAC1 1820/4885HDAC6 502/4885DYRK1A 4761/4885

“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.