SCHEMBL15599990

SCHEMBL15599990

O=C(O)CCCCCNCc1cccc2c(C(F)(F)F)c(O[C@H]3CC[C@@H](C(F)(F)F)CC3)ccc12

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.66
S1PR5 Q9H228 3/20 0.47
SLC2A1 P11166 3/20 0.41
LPAR1 Q92633 1/20 0.39
BCHE P06276 3/20 0.36
ACHE P22303 3/20 0.36
FOLH1 Q04609 1/20 0.35
CHRM2 P08172 2/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL15565839 1.00 ENPP2 (0.66) ENPP2S1PR5SLC2A1LPAR1BCHE
SCHEMBL15565292 0.99 ENPP2 (0.67) ENPP2S1PR5SLC2A1LPAR1BCHE
SCHEMBL15599912 0.99 ENPP2 (0.67) ENPP2S1PR5SLC2A1LPAR1BCHE
SCHEMBL15565188 0.96 ENPP2 (0.71) ENPP2S1PR5SLC2A1LPAR1FOLH1
SCHEMBL15599987 0.96 ENPP2 (0.71) ENPP2S1PR5SLC2A1LPAR1FOLH1
SCHEMBL16860093 0.93 ENPP2 (0.63) ENPP2S1PR5SLC2A1LPAR1
SCHEMBL15565293 0.93 ENPP2 (0.63) ENPP2S1PR5SLC2A1LPAR1
SCHEMBL15599966 0.91 ENPP2 (0.55) ENPP2S1PR5SLC2A1BCHEACHE
SCHEMBL15565274 0.91 ENPP2 (0.55) ENPP2S1PR5SLC2A1BCHEACHE
SCHEMBL15565805 0.90 ENPP2 (0.56) ENPP2S1PR5SLC2A1BCHEACHE

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
EP-2879673-B1 1,5,6-substituted naphthalene derivatives as sphingosine 1 phosphate (S1P) receptor and/or autotaxin (ATX) modulators for treating inflammatory and autoimmune disorders BIOGEN MA INC (US) 2018-07-25 EP claimed
US-20150183741-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2015-07-02 US claimed
EP-2879673-B1 1,5,6-substituted naphthalene derivatives as sphingosine 1 phosphate (S1P) receptor and/or autotaxin (ATX) modulators for treating inflammatory and autoimmune disorders BIOGEN MA INC (US) 2018-07-25 EP disclosed
EP-2879673-B1 1,5,6-substituted naphthalene derivatives as sphingosine 1 phosphate (S1P) receptor and/or autotaxin (ATX) modulators for treating inflammatory and autoimmune disorders BIOGEN MA INC (US) 2018-07-25 EP disclosed
US-9499485-B2 Compounds that are S1P modulating agents and/or ATX modulating agents BIOGEN MA INC. (US) 2016-11-22 US disclosed
US-9499485-B2 Compounds that are S1P modulating agents and/or ATX modulating agents BIOGEN MA INC. (US) 2016-11-22 US disclosed
US-20150183741-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2015-07-02 US disclosed
US-20150183741-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2015-07-02 US disclosed
WO-2014025709-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-02-13 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-20150183741-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 ENPP2 1/4885S1PR5 4/4885SLC2A1 4038/4885

“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.