SCHEMBL17758545

SCHEMBL17758545

COC(=O)NCCCCP(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.57
S1PR2 O95136 5/20 0.44
S1PR4 O95977 5/20 0.44
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 5/20 0.44
S1PR5 Q9H228 1/20 0.44
LPAR3 Q9UBY5 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
LPAR2 Q9HBW0 1/20 0.43
TYMS P04818 1/20 0.42
LPAR1 Q92633 1/20 0.40
ACHE P22303 1/20 0.38
MMP2 P08253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BBOX1 O75936 1/20 0.38

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
SCHEMBL17758575 0.94 EPHX1 (0.53) EPHX1S1PR2S1PR4S1PR1S1PR3
SCHEMBL17038780 0.85 PGK1 (0.47) EPHX1S1PR2S1PR4S1PR1S1PR3
SCHEMBL13313064 0.83 EPHX1 (0.65) EPHX1ACHETDP1
SCHEMBL7252127 0.82 EPHX1 (0.77) EPHX1ACHETDP1
SCHEMBL14178263 0.81 EPHX1 (0.69) EPHX1ACHETDP1
SCHEMBL7788569 0.80 EPHX1 (0.82) EPHX1ACHETDP1
SCHEMBL7788927 0.80 EPHX1 (0.82) EPHX1ACHETDP1
SCHEMBL7788937 0.80 EPHX1 (0.82) EPHX1ACHETDP1
SCHEMBL717081 0.80 EPHX1 (0.82) EPHX1ACHETDP1
SCHEMBL14252129 0.80 EPHX1 (0.82) EPHX1ACHETDP1

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-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 EPHX1 3753/4885S1PR2 3378/4885S1PR4 2521/4885

“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.