SCHEMBL17754041

SCHEMBL17754041

CC(=O)CCCCC(=N)N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 5/20 0.54
SPHK2 Q9NRA0 1/20 0.54
SPHK1 Q9NYA1 1/20 0.54
ALDH1A1 P00352 2/20 0.45
ACHE P22303 1/20 0.42
LMNA P02545 2/20 0.38
SLC15A2 Q16348 1/20 0.38
F2 P00734 2/20 0.36
PRSS1 P07477 1/20 0.36
ALOX15 P16050 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
TDP1 Q9NUW8 1/20 0.32
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 1/20 0.32
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL21169602 0.83
Acetic Acid SCHEMBL29257566 0.81 SPHK2 (0.50) PAOXSPHK2SPHK1ALDH1A1ACHE
SCHEMBL1327434 0.80 PAOX (0.62) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL5889691 0.80 SPHK2 (0.55) SPHK2SPHK1ALDH1A1LMNAF2
SCHEMBL620309 0.80 ALDH1A1 (0.69) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL7851689 0.80 SPHK2 (0.67) SPHK2SPHK1LMNAF2PRSS1
Acetic Acid SCHEMBL27585246 0.78 SPHK2 (0.74) SPHK2SPHK1ALDH1A1ALOX15TDP1
Acetic Acid SCHEMBL27952396 0.78 SPHK2 (0.74) SPHK2SPHK1ALDH1A1ALOX15TDP1
Acetic Acid SCHEMBL20298430 0.78 SPHK2 (0.74) SPHK2SPHK1ALDH1A1ALOX15TDP1
SCHEMBL23352440 0.78 PAOX (0.67) PAOXALDH1A1ACHELMNASLC15A2

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
US-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2016-05-19 US disclosed
US-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2016-05-19 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-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS FUT5, FUT6, CSGALNACT1 PAOX 3475/4885SPHK2 2960/4885SPHK1 3206/4885

“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.