SCHEMBL15565758

SCHEMBL15565758

CCOC(=O)CNCc1cccc2c(C(F)(F)F)c(OC3CCC(C)CC3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 11/20 0.41
S1PR5 Q9H228 1/20 0.38
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35
EPHX2 P34913 1/20 0.35
PPID Q08752 1/20 0.34

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
SCHEMBL15565757 1.00 ENPP2 (0.41) ENPP2S1PR5PDCD1CD274ALDH1A1
SCHEMBL15600021 0.92 ENPP2 (0.48) ENPP2S1PR5PDCD1CD274ALDH1A1
SCHEMBL15564597 0.92 ENPP2 (0.48) ENPP2S1PR5PDCD1CD274ALDH1A1
SCHEMBL15600009 0.90 ENPP2 (0.47) ENPP2S1PR5EPHX2
SCHEMBL15565834 0.90 ENPP2 (0.47) ENPP2S1PR5EPHX2
SCHEMBL16868887 0.87 ENPP2 (0.41) ENPP2S1PR5EPHX2
SCHEMBL15599976 0.85 ENPP2 (0.45) ENPP2S1PR5EPHX2
SCHEMBL15565307 0.85 ENPP2 (0.45) ENPP2S1PR5EPHX2
SCHEMBL15599979 0.84 ENPP2 (0.49) ENPP2S1PR5EPHX2
SCHEMBL15565694 0.84 ENPP2 (0.51) ENPP2S1PR5EPHX2

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 6 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 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-20150183741-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2015-07-02 US disclosed
EP-2879673-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS Biogen Idec MA Inc. (US) 2015-06-10 EP 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 4/4885PDCD1 4765/4885

“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.