SCHEMBL18878626

SCHEMBL18878626

CCCCCNCC(=O)NCCC(=O)NC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.50
NAAA Q02083 1/20 0.47
EPHX1 P07099 5/20 0.46
GAA P10253 1/20 0.44
FAAH O00519 4/20 0.42
EPHX2 P34913 2/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41

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
SCHEMBL18878692 0.85 GAA (0.52) CASP2NAAAEPHX1GAA
SCHEMBL7343085 0.83 CASP2 (0.64) CASP2NAAAEPHX1GAAFAAH
SCHEMBL8183109 0.83 S1PR2 (0.50) CASP2NAAAEPHX1GAA
SCHEMBL29255848 0.83 CASP2 (0.64) CASP2NAAAEPHX1GAAFAAH
SCHEMBL17740223 0.80 CASP2 (0.70) CASP2NAAAEPHX1FAAHEPHX2
SCHEMBL5313764 0.79 GAA (0.58) CASP2EPHX1GAA
SCHEMBL24427125 0.78 HSP90AA1 (0.55) CASP2NAAAEPHX1FAAH
SCHEMBL19703839 0.78 CASP2 (0.68) CASP2NAAAEPHX1FAAHEPHX2
SCHEMBL24240988 0.77 HDAC1 (0.44) CASP2EPHX1GAAFAAH
SCHEMBL19400435 0.77 CASP2 (0.71) CASP2NAAAEPHX1FAAHEPHX2

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-20170146549-A1 ISOBARIC MASS LABELS ELECTROPHORETICS LIMITED (GB) 2017-05-25 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-20170146549-A1 ISOBARIC MASS LABELS SRMS, PTMS, QPCTL CASP2 2600/4885NAAA 2738/4885EPHX1 1078/4885

“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.