SCHEMBL21114006

SCHEMBL21114006

Cn1nc(-c2ccc(-c3ccccc3CCCCCOS(C)(=O)=O)cc2F)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 15/20 0.39
FEN1 P39748 14/20 0.39
RORC P51449 5/20 0.38

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
SCHEMBL21122112 0.85 RORC (0.38) ALOX5APFEN1RORC
SCHEMBL21163150 0.84 RORC (0.38) ALOX5APFEN1RORC
SCHEMBL21113968 0.82 ALOX5AP (0.36) ALOX5APFEN1RORC
SCHEMBL21113973 0.81 ALOX5AP (0.38) ALOX5APFEN1RORC
SCHEMBL21114053 0.77 ALOX5AP (0.35) ALOX5APFEN1RORC
SCHEMBL21114165 0.76 FEN1 (0.34) ALOX5APFEN1
SCHEMBL21114068 0.75 RXRA (0.35) ALOX5APFEN1
SCHEMBL21113951 0.75 SCN9A (0.36) ALOX5APFEN1RORC
SCHEMBL21114142 0.73 SCN9A (0.36) ALOX5APFEN1RORC
SCHEMBL21114098 0.72 ALOX5AP (0.42) ALOX5APFEN1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALOX5AP 1319/4885FEN1 1905/4885RORC 2752/4885

“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.