SCHEMBL15566012

SCHEMBL15566012

CC1CCC(Oc2ccc3c(CO)cccc3c2C(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 15/20 0.45
MCHR1 Q99705 1/20 0.36
AKR1B10 O60218 1/20 0.34
AKR1A1 P14550 1/20 0.34
AKR1B1 P15121 1/20 0.34
LPAR1 Q92633 1/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
EPHX2 P34913 1/20 0.34
ACHE P22303 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
SCHEMBL15566047 1.00 ENPP2 (0.45) ENPP2MCHR1AKR1B10AKR1A1AKR1B1
SCHEMBL15565364 0.88 ENPP2 (0.48) ENPP2AKR1B10AKR1A1AKR1B1LPAR1
SCHEMBL15599971 0.88 ENPP2 (0.48) ENPP2AKR1B10AKR1A1AKR1B1LPAR1
SCHEMBL20404025 0.85 ENPP2 (0.45) ENPP2LPAR1ITGB2ICAM1ITGAL
SCHEMBL20403971 0.84 ENPP2 (0.43) ENPP2MCHR1LPAR1ITGB2ICAM1
SCHEMBL20403948 0.83 ACHE (0.46) ENPP2ACHE
SCHEMBL15600009 0.83 ENPP2 (0.47) ENPP2AKR1B10AKR1A1AKR1B1LPAR1
SCHEMBL15565834 0.83 ENPP2 (0.47) ENPP2AKR1B10AKR1A1AKR1B1LPAR1
SCHEMBL15600012 0.81 ENPP2 (0.51) ENPP2AKR1B10AKR1A1AKR1B1EPHX2
SCHEMBL15565694 0.81 ENPP2 (0.51) ENPP2AKR1B10AKR1A1AKR1B1EPHX2

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 5 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
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 1/4885MCHR1 698/4885AKR1B10 3408/4885

“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.