SCHEMBL21452644

SCHEMBL21452644

CC(C)n1ccc(OCCC2(C(F)(F)F)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CFTR P13569 9/20 0.37
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MGAT2 Q10469 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
SCHEMBL23006873 0.90 CFTR (0.38) CFTR
SCHEMBL20260592 0.86 CFTR (0.35) CFTRHDAC1HDAC6
SCHEMBL20029803 0.83 CFTR (0.36) CFTR
SCHEMBL20029735 0.82 CFTR (0.39) CFTR
SCHEMBL21288468 0.80 CFTR (0.38) CFTR
SCHEMBL21288467 0.80 CFTR (0.39) CFTR
SCHEMBL23006777 0.78 CFTR (0.39) CFTR
SCHEMBL22943017 0.77 DYRK1A (0.30)
SCHEMBL20932895 0.76 CFTR (0.36) CFTR
SCHEMBL26384594 0.76 CFTR (0.36) CFTR

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-20210139514-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2021-05-13 US disclosed
WO-2021030556-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed
WO-2019195739-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR ABELA ALEXANDER RUSSELL (US) 2019-10-10 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 (1 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-20210139514-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CFTR 1/4885HDAC1 3207/4885HDAC6 1313/4885

“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.