SCHEMBL21114036

SCHEMBL21114036

CN(CCCOc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 6/20 0.38
PDK2 Q15119 1/20 0.38
LTA4H P09960 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL21113999 0.96 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL21113938 0.95 KDM4E (0.39) KDM4ESMN1; SMN2ALDH1A1PDK2LTA4H
SCHEMBL21114092 0.94 KDM4E (0.40) KDM4ESMN1; SMN2ALDH1A1PDK2KMT2A
SCHEMBL21114079 0.92 KDM4E (0.38) KDM4ESMN1; SMN2ALDH1A1PDK2MAPT
SCHEMBL2719231 0.87 KDM4E (0.45) KDM4ESMN1; SMN2ALDH1A1PDK2MAPT
SCHEMBL21163146 0.86 PDK2 (0.46) KDM4ESMN1; SMN2ALDH1A1PDK2TDP1
SCHEMBL21114117 0.83 PDK2 (0.45) KDM4ESMN1; SMN2PDK2KMT2ATDP1
SCHEMBL21113990 0.83 PDK2 (0.44) KDM4ESMN1; SMN2PDK2L3MBTL1KMT2A
SCHEMBL21114115 0.83 CXCR2 (0.30)
SCHEMBL21114178 0.83 PDK2 (0.44) KDM4ESMN1; SMN2PDK2L3MBTL1KMT2A

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 KDM4E 4784/4885SMN1; SMN2 3380/4885ALDH1A1 745/4885

“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.