SCHEMBL5495068

SCHEMBL5495068

CC(N)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 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
SCHEMBL5495073 1.00 CA1 (0.33) CA1CA2CA9GRIN2DGRIN3B
SCHEMBL27494904 0.84 MAPT (0.40) CA1CA2GRIN2DGRIN3BGRIN1
SCHEMBL27494903 0.84 MAPT (0.40) CA1CA2GRIN2DGRIN3BGRIN1
SCHEMBL5493590 0.83 SLC7A5 (0.39) CA1CA2CA9
SCHEMBL5493588 0.83 SLC7A5 (0.39) CA1CA2CA9
SCHEMBL19105215 0.81 PKM (0.32) CA1CA2CA9PKMSMN1; SMN2
SCHEMBL11915792 0.81 ELANE (0.42) CA1CA2CA9PKMSMN1; SMN2
SCHEMBL935390 0.78 KMT2A (0.43)
SCHEMBL17278283 0.78 SLC7A5 (0.45) MTORRAB9A
SCHEMBL12831909 0.77 PKM (0.31) PKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110709523-B Sequencing reaction method using tagged nucleosides obtained via PICTET SPENGLER reaction 豪夫迈·罗氏有限公司 2023-07-11 CN disclosed
US-11293060-B2 Method for labeling of aldehyde containing target molecules Roche Sequencing Solutions, Inc. (US) 2022-04-05 US disclosed
EP-3609897-A1 A METHOD FOR LABELING OF ALDEHYDE CONTAINING TARGET MOLECULES H. Hoffnabb-La Roche Ag (CH) 2020-02-19 EP disclosed
EP-3610040-A1 A METHOD FOR SEQUENCING REACTION WITH TAGGED NUCLEOSIDE OBTAINED VIA PICTET SPENGLER REACTION H. Hoffnabb-La Roche Ag (CH) 2020-02-19 EP disclosed
CN-109564213-A Detecting microbial wound infection 西诺福有限公司 2019-04-02 CN disclosed
WO-2018191389-A1 A METHOD FOR SEQUENCING REACTION WITH TAGGED NUCLEOSIDE OBTAINED VIA PICTET SPENGLER REACTION Roche Sequencing Solutions, Inc. (US) 2018-10-18 WO disclosed
WO-2018189214-A1 A METHOD FOR LABELING OF ALDEHYDE CONTAINING TARGET MOLECULES F. HOFFMANN-LA ROCHE AG (CH) 2018-10-18 WO disclosed
EP-1858538-A2 MUCIN HYPERSECRETION INHIBITORS BASED ON THE STRUCTURE OF MANS AND METHODS OF USE Biomarck Pharmaceuticals, Ltd. (US) 2007-11-28 EP disclosed
WO-2006078899-A2 MUCIN HYPERSECRETION INHIBITORS BASED ON THE STRUCTURE OF MANS AND METHODS OF USE BIOMARCK PHARMACEUTICALS, LTD. (US) 2006-07-27 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-11293060-B2 Method for labeling of aldehyde containing target molecules NUDT1, RNGTT, DERA CA1 2925/4885CA2 2590/4885CA9 1968/4885

“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.