SCHEMBL21114016

SCHEMBL21114016

CN(CCOCCCOc1ccc(-c2nn(C)c3cc(Br)ccc23)c(F)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 10/20 0.47
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
RORC P51449 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.34
CMKLR1 Q99788 1/20 0.33
NPC1 O15118 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
ESR1 P03372 1/20 0.33
BTK Q06187 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
SCHEMBL21113984 0.94 LSS (0.48) LSSALDH1A1KMT2AMAPTRORC
SCHEMBL21114048 0.94 LSS (0.48) LSSALDH1A1KMT2AMAPTRORC
SCHEMBL21113922 0.93 LSS (0.49) LSSALDH1A1KMT2AMAPTRORC
SCHEMBL21114017 0.83 LSS (0.42) LSSKMT2AMAPTRORCMEN1
SCHEMBL21113985 0.82 LSS (0.41) LSSKMT2AMAPTRORCKDM4E
SCHEMBL21113924 0.82 LSS (0.41) LSSALDH1A1MAPTRORCKDM4E
SCHEMBL21113913 0.82 LSS (0.43) LSSALDH1A1KMT2AMAPTKDM4E
SCHEMBL21114116 0.82 LSS (0.55) LSSALDH1A1KMT2AMAPTKDM4E
SCHEMBL21114031 0.81 LSS (0.47) LSSALDH1A1KMT2ARORCLMNA
SCHEMBL21113936 0.80 LSS (0.48) LSSRORCESR1

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 438/4885ALDH1A1 745/4885KMT2A 4674/4885

“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.