SCHEMBL21113989

SCHEMBL21113989

CN(CCCCC(Oc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C(C)(C)C)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CXCR2 P25025 1/20 0.30

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
SCHEMBL21114115 0.97 CXCR2 (0.30) CXCR2
SCHEMBL21113999 0.82 KDM4E (0.44) KDM4ESMN1; SMN2
SCHEMBL21114036 0.82 KDM4E (0.40) KDM4ESMN1; SMN2
SCHEMBL21114092 0.79 KDM4E (0.40) KDM4ESMN1; SMN2
SCHEMBL21113938 0.78 KDM4E (0.39) KDM4ESMN1; SMN2
SCHEMBL21114079 0.77 KDM4E (0.38) KDM4ESMN1; SMN2
SCHEMBL21114117 0.75 PDK2 (0.45) KDM4ESMN1; SMN2
SCHEMBL21114178 0.74 PDK2 (0.44) KDM4ESMN1; SMN2
SCHEMBL21113990 0.74 PDK2 (0.44) KDM4ESMN1; SMN2
SCHEMBL21163146 0.74 PDK2 (0.46) KDM4ESMN1; SMN2CXCR2

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 1 patent. 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

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 3380/4885CXCR2 700/4885

“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.