SCHEMBL15565398

SCHEMBL15565398

COC(=O)c1cccc2c(C(F)(F)F)c(O[C@H]3CC[C@@H](C)CC3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 13/20 0.45
AKR1B10 O60218 1/20 0.43
AKR1A1 P14550 1/20 0.43
AKR1B1 P15121 1/20 0.43
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PDE5A O76074 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
LPAR1 Q92633 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
PDE4D Q08499 1/20 0.35

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
SCHEMBL15565399 1.00 ENPP2 (0.45) ENPP2AKR1B10AKR1A1AKR1B1ALDH1A1
SCHEMBL15565993 0.90 ENPP2 (0.48) ENPP2AKR1B10AKR1A1AKR1B1PDE5A
SCHEMBL15565991 0.90 ENPP2 (0.48) ENPP2AKR1B10AKR1A1AKR1B1PDE5A
SCHEMBL20403994 0.85 KDM4E (0.42) ENPP2ALDH1A1KDM4EPDE5ATAS1R3
SCHEMBL15565940 0.84 PDE5A (0.42) ENPP2ALDH1A1KDM4EPDE5ATAS1R3
SCHEMBL15565938 0.84 PDE5A (0.42) ENPP2ALDH1A1KDM4EPDE5ATAS1R3
SCHEMBL20403971 0.81 ENPP2 (0.43) ENPP2LPAR1ITGB2ICAM1ITGAL
SCHEMBL9575302 0.80 AKR1B10 (0.61) AKR1B10AKR1A1AKR1B1ALDH1A1KDM4E
SCHEMBL15566047 0.80 ENPP2 (0.45) ENPP2AKR1B10AKR1A1AKR1B1LPAR1
SCHEMBL15566012 0.80 ENPP2 (0.45) ENPP2AKR1B10AKR1A1AKR1B1LPAR1

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 1/4885AKR1B10 3408/4885AKR1A1 3087/4885

“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.