SCHEMBL21113971

SCHEMBL21113971

Cn1nc(-c2ccc(OCCCCCCOS(C)(=O)=O)cc2F)c2ccc(Br)cc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 8/20 0.45
RORC P51449 3/20 0.36
PDE2A O00408 2/20 0.35
ESR1 P03372 1/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.32
IDO1 P14902 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
SCN9A Q15858 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
SCHEMBL21113992 0.87 LSS (0.48) LSSRORCPDE2AESR1HRH3
SCHEMBL21113936 0.86 LSS (0.48) LSSRORCPDE2AESR1
SCHEMBL21114031 0.85 LSS (0.47) LSSRORCPDE2AESR1IDO1
SCHEMBL21114116 0.85 LSS (0.55) LSSPDE2AMAPTMEN1KMT2A
SCHEMBL21114187 0.85 LSS (0.47) LSSRORCPDE2AESR1MEN1
SCHEMBL21114064 0.83 LSS (0.45) LSSRORCPDE2AESR1MAPT
SCHEMBL21114071 0.83 LSS (0.43) LSSPDE2AESR1HRH3
SCHEMBL21113916 0.82 LSS (0.44) LSSRORCPDE2AESR1HRH3
SCHEMBL21113922 0.81 LSS (0.49) LSSRORCPDE2AESR1MAPT
SCHEMBL21114027 0.81 LSS (0.42) LSSRORCPDE2AESR1MAPT

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-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-07-11 US disclosed
WO-2019136314-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2019-07-11 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-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, SERPINB1 LSS 438/4885RORC 2752/4885PDE2A 106/4885

“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.