SCHEMBL21998388

SCHEMBL21998388

Cn1cc(-c2cc(C[S+](C)[O-])ccc2OCC(F)(F)F)cc(Cl)c1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.44
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
PTGES O14684 2/20 0.32
PMM2 O15305 1/20 0.31
MPI P34949 1/20 0.31
PHOSPHO1 Q8TCT1 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31

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
SCHEMBL19931085 0.89 BRD4 (0.54) BRD4
SCHEMBL19931291 0.89 BRD4 (0.47) BRD4
SCHEMBL19930855 0.84 BRD4 (0.46) BRD4SCN5ASCN9APTGESADRA1D
SCHEMBL16649961 0.83 BRD4 (0.54) BRD4SCN5ASCN9A
SCHEMBL29848964 0.83 BRD4 (0.54) BRD4SCN5ASCN9A
SCHEMBL19931464 0.81 BRD4 (0.43) BRD4
SCHEMBL21998380 0.78 BRD4 (0.72) BRD4
SCHEMBL19930829 0.77 BRD4 (0.39) BRD4
SCHEMBL21998383 0.76 BRD4 (0.41) BRD4
SCHEMBL19931018 0.73 BRD4 (0.66) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941160-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2021-03-09 US disclosed
US-20200148703-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-05-14 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 (2 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-10941160-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 BRD4 5/4885SCN5A 4032/4885SCN9A 4156/4885
US-20200148703-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 BRD4 5/4885SCN5A 4032/4885SCN9A 4156/4885

“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.