SCHEMBL21114159

SCHEMBL21114159

Cn1nc(-c2ccc(-c3ccccc3C#CCCCOS(C)(=O)=O)cc2F)c2ccc(Br)cc21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.33
RORC P51449 1/20 0.32
SCN9A Q15858 4/20 0.31
SCN5A Q14524 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 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
SCHEMBL21113917 0.86 SCN9A (0.35) LSSRORCSCN9ASCN5AALOX5AP
SCHEMBL21122113 0.85 SCN9A (0.34) LSSRORCSCN9ASCN5AALOX5AP
SCHEMBL21114015 0.85 SCN9A (0.35) LSSRORCSCN9ASCN5AALOX5AP
SCHEMBL21113971 0.77 LSS (0.45) LSSRORCSCN9AGAAHTT
SCHEMBL21114006 0.73 ALOX5AP (0.39) RORCALOX5APFEN1
SCHEMBL21114053 0.72 ALOX5AP (0.35) LSSRORCALOX5APFEN1
SCHEMBL21113977 0.71 SCN9A (0.42) LSSSCN9ASCN5AALOX5APFEN1
SCHEMBL21113933 0.70 SCN9A (0.39) LSSRORCSCN9ASCN5AALOX5AP
SCHEMBL21113951 0.70 SCN9A (0.36) LSSRORCSCN9ASCN5AALOX5AP
SCHEMBL21114142 0.69 SCN9A (0.36) LSSRORCSCN9ASCN5AALOX5AP

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
WO-2019136314-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2019-07-11 WO disclosed
US-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-07-11 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 (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-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, SERPINB1 LSS 438/4885RORC 2752/4885SCN9A 973/4885

“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.