SCHEMBL21114028

SCHEMBL21114028

CN(CC(=O)N(C)CCCOc1ccc(-c2n[nH]c3cc(Br)ccc23)c(F)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 7/20 0.43
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
ITK Q08881 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
PDK2 Q15119 1/20 0.35
NPC1 O15118 1/20 0.35
MEN1 O00255 1/20 0.34
ALK Q9UM73 2/20 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
SCHEMBL21114132 0.94 LSS (0.46) LSSPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL21114033 0.90 LSS (0.45) LSSPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL21163692 0.90 LSS (0.40) LSSPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL21114039 0.89 LSS (0.44) LSSPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL21113913 0.89 LSS (0.43) LSSPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL21113991 0.88 LSS (0.43) LSSPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL21114029 0.86 LSS (0.41) LSSPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL21122104 0.83 FLT3 (0.39) LSSPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL21114175 0.82 LSS (0.46) LSSPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL21114059 0.82 TMEM97 (0.37) LSSALDH1A1KMT2AITKKDM4E

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 438/4885PRKAB2 1269/4885PRKAG1 1441/4885

“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.