SCHEMBL15565308

SCHEMBL15565308

O=Cc1cccc2ccc(O[C@H]3CC[C@@H](C(F)(F)F)CC3)c(C(F)(F)F)c12

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 14/20 0.43
LPAR1 Q92633 1/20 0.41
S1PR5 Q9H228 1/20 0.31
SCN9A Q15858 2/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL15565311 1.00 ENPP2 (0.43) ENPP2LPAR1S1PR5SCN9AMCHR1
SCHEMBL15565523 0.88 ENPP2 (0.42) ENPP2LPAR1MCHR1
SCHEMBL15565521 0.88 ENPP2 (0.42) ENPP2LPAR1MCHR1
SCHEMBL15565772 0.86 ENPP2 (0.38) ENPP2LPAR1S1PR5SCN9AMCHR1
SCHEMBL20404045 0.86 ENPP2 (0.38) ENPP2LPAR1S1PR5SCN9AMCHR1
SCHEMBL15565774 0.86 ENPP2 (0.38) ENPP2LPAR1S1PR5SCN9AMCHR1
SCHEMBL15565297 0.82 ENPP2 (0.46) ENPP2LPAR1S1PR5SCN9A
SCHEMBL15565300 0.82 ENPP2 (0.46) ENPP2LPAR1S1PR5SCN9A
SCHEMBL15599909 0.76 ENPP2 (0.39) ENPP2LPAR1S1PR5SCN9A
SCHEMBL15553230 0.75 ENPP2 (0.52) ENPP2LPAR1SCN9A

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 11 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-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
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
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 1/4885LPAR1 8/4885S1PR5 4/4885

“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.