SCHEMBL21113938

SCHEMBL21113938

CN(CCCOCCOc1ccc(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 0.39
ALDH1A1 P00352 3/20 0.39
RARB P10826 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
RARA P10276 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
PDK2 Q15119 1/20 0.35
LSS P48449 2/20 0.35
LTA4H P09960 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL21114036 0.95 KDM4E (0.40) KDM4EALDH1A1TDP1SMN1; SMN2PDK2
SCHEMBL21114079 0.93 KDM4E (0.38) KDM4EALDH1A1RARBTDP1RARA
SCHEMBL21113999 0.91 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2LSS
SCHEMBL21114092 0.90 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2PDK2
SCHEMBL21163142 0.88 PDK2 (0.42) KDM4EALDH1A1RARBTDP1RARA
SCHEMBL2719231 0.82 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2PDK2
SCHEMBL21163146 0.82 PDK2 (0.46) KDM4EALDH1A1TDP1SMN1; SMN2PDK2
SCHEMBL21163145 0.81 PDK2 (0.45) KDM4EALDH1A1TDP1PDK2LSS
SCHEMBL21113939 0.80 RARB (0.37) KDM4EALDH1A1RARBTDP1RARA
SCHEMBL21114081 0.79 RARA (0.35) RARBRARALSS

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 745/4885RARB 756/4885

“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.