SCHEMBL14920053

SCHEMBL14920053

CC(C)(C)OC(=O)NCc1ccc(F)c(O)c1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KA1 Q15418 1/20 0.42
MEP1A Q16819 1/20 0.42
MEP1B Q16820 1/20 0.42
KDM4A O75164 1/20 0.41
IDO1 P14902 2/20 0.41
KCNA5 P22460 1/20 0.40
GAA P10253 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NQO2 P16083 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SERPINE1 P05121 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
HDAC10 Q969S8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL19085509 0.86 RPS6KA1 (0.47) RPS6KA1KDM4AIDO1KCNA5GAA
SCHEMBL29467981 0.86 RPS6KA1 (0.42) RPS6KA1KDM4AIDO1KCNA5GAA
SCHEMBL19083121 0.84 RPS6KA1 (0.41) RPS6KA1KDM4AIDO1KCNA5GAA
SCHEMBL28212129 0.83 RPS6KA1 (0.41) RPS6KA1KDM4AIDO1KCNA5GAA
SCHEMBL30480695 0.83 RPS6KA1 (0.41) RPS6KA1KDM4AIDO1KCNA5GAA
SCHEMBL25302834 0.83 HDAC10 (0.40) RPS6KA1KDM4AIDO1KCNA5GAA
SCHEMBL31171839 0.83 HDAC10 (0.40) RPS6KA1KDM4AIDO1KCNA5GAA
SCHEMBL12234545 0.82 RPS6KA1 (0.43) RPS6KA1KDM4AIDO1KCNA5GAA
SCHEMBL23336746 0.81 RPS6KA1 (0.41) RPS6KA1KDM4AKCNA5CA12CA1
SCHEMBL16415869 0.80 RPS6KA1 (0.49) RPS6KA1MEP1BKDM4AKCNA5CA12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288040-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION ASTEX THERAPEUTICS LIMITED (GB) 2014-09-25 US disclosed
US-20140288040-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION ASTEX THERAPEUTICS LIMITED (GB) 2014-09-25 US disclosed
EP-2773613-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION Astex Therapeutics Limited (GB) 2014-09-10 EP disclosed
WO-2013064538-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION ASTEX THERAPEUTICS LIMITED (GB) 2013-05-10 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-20140288040-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION NR1H4, CFH, SLC10A1 RPS6KA1 2195/4885MEP1A 3790/4885MEP1B 3379/4885

“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.