SCHEMBL13499031

SCHEMBL13499031

CN[C@H](CO)[C@@H](O)/C=C/c1ccc(CCCCF)cc1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 9/20 0.79
SPHK2 Q9NRA0 7/20 0.79
APP P05067 10/20 0.34
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32

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
SCHEMBL14633002 0.88 SPHK1 (1.00) SPHK1SPHK2
SCHEMBL20596127 0.88 SPHK1 (1.00) SPHK1SPHK2
SCHEMBL18194573 0.88 SPHK1 (1.00) SPHK1SPHK2
SCHEMBL20592376 0.88 SPHK1 (1.00) SPHK1SPHK2
SCHEMBL120911 0.88 SPHK1 (1.00) SPHK1SPHK2
SCHEMBL23519479 0.87 SPHK1 (0.97) SPHK1SPHK2
SCHEMBL13896120 0.79 SPHK1 (0.83) SPHK1SPHK2
SCHEMBL21287632 0.78 SPHK1 (0.66) SPHK1SPHK2APP
SCHEMBL12450365 0.77 SPHK1 (0.79) SPHK1SPHK2
SCHEMBL20651369 0.76 SPHK1 (0.63) SPHK1SPHK2

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-8372888-B2 Sphingosine kinase type 1 inhibitors, compositions and processes for using same ENZO THERAPEUTICS, INC. (US) 2013-02-12 US disclosed
US-20100035959-A1 Novel sphingosine kinase type 1 inhibitors, compositions and processes for using same ENZO THERAPEUTICS, INC.C/O ENZO BIOCHEM, INC. (US) 2010-02-11 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-20100035959-A1 Novel sphingosine kinase type 1 inhibitors, compositions and processes for using same SPHK1, SPHK2, S1PR1 SPHK1 1/4885SPHK2 2/4885APP 1534/4885

“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.