SCHEMBL15564833

SCHEMBL15564833

C[C@H]1CC[C@@H](Oc2ccc3cccc(C=O)c3c2I)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.44
ENPP2 Q13822 7/20 0.34
POLB P06746 1/20 0.33
TLR2 O60603 1/20 0.30
ERN1 O75460 1/20 0.30
TLR1 Q15399 1/20 0.30
TLR6 Q9Y2C9 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
SCHEMBL15564835 1.00 MCHR1 (0.44) MCHR1ENPP2POLBTLR2ERN1
SCHEMBL20403969 0.86 MCHR1 (0.45) MCHR1ENPP2POLBTLR2ERN1
SCHEMBL15565774 0.84 ENPP2 (0.38) MCHR1ENPP2
SCHEMBL15565772 0.84 ENPP2 (0.38) MCHR1ENPP2
SCHEMBL15565521 0.82 ENPP2 (0.42) MCHR1ENPP2
SCHEMBL15565523 0.82 ENPP2 (0.42) MCHR1ENPP2
SCHEMBL16944303 0.73 MCHR1 (0.37) MCHR1ENPP2POLB
SCHEMBL15551570 0.72 ENPP2 (0.38) MCHR1ENPP2
SCHEMBL15551568 0.72 ENPP2 (0.38) MCHR1ENPP2
SCHEMBL20404045 0.72 ENPP2 (0.38) MCHR1ENPP2POLB

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 MCHR1 698/4885ENPP2 1/4885POLB 4049/4885

“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.