SCHEMBL21114092

SCHEMBL21114092

CN(CCOc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.38
PDK2 Q15119 4/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 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
SCHEMBL21114036 0.94 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2ATMPDK2
SCHEMBL21114079 0.93 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2ATMPDK2
SCHEMBL21113999 0.92 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL21113938 0.90 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2PDK2
SCHEMBL21163140 0.86 PDK2 (0.51) KDM4EALDH1A1PDK2KMT2A
SCHEMBL21163146 0.81 PDK2 (0.46) KDM4EALDH1A1SMN1; SMN2PDK2
SCHEMBL2719231 0.81 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2ATMPDK2
SCHEMBL16468543 0.81 CA1 (0.48) KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL16569199 0.80 CA12 (0.37) ALDH1A1SMN1; SMN2PDK2
SCHEMBL20566572 0.79 CXCR2 (0.34)

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

“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.