SCHEMBL21114031

SCHEMBL21114031

CC(=O)OCCCCCCOc1ccc(-c2nn(C)c3cc(Br)ccc23)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 6/20 0.47
ALDH1A1 P00352 1/20 0.43
RORC P51449 3/20 0.38
ESR1 P03372 1/20 0.36
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
P2RY12 Q9H244 2/20 0.35
PDE2A O00408 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
IDO1 P14902 1/20 0.33

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
SCHEMBL21113936 0.88 LSS (0.48) LSSRORCESR1PDE2A
SCHEMBL21113992 0.87 LSS (0.48) LSSRORCESR1PDE2A
SCHEMBL21113923 0.87 LSS (0.42) LSSALDH1A1RORCESR1PDE2A
SCHEMBL21113971 0.85 LSS (0.45) LSSRORCESR1PDE2AMEN1
SCHEMBL21114187 0.85 LSS (0.47) LSSALDH1A1RORCESR1PDE2A
SCHEMBL21114116 0.85 LSS (0.55) LSSALDH1A1PDE2AMEN1KMT2A
SCHEMBL21114050 0.84 LSS (0.41) LSSALDH1A1RORCESR1PDE2A
SCHEMBL21113922 0.83 LSS (0.49) LSSALDH1A1RORCESR1PDE2A
SCHEMBL21114064 0.83 LSS (0.45) LSSALDH1A1RORCESR1PDE2A
SCHEMBL21113916 0.82 LSS (0.44) LSSRORCESR1PDE2A

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
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
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 438/4885ALDH1A1 745/4885RORC 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.