SCHEMBL15565993

SCHEMBL15565993

COC(=O)c1cccc2c(C(F)(F)F)c(OC3CCC(C(F)(F)F)CC3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 14/20 0.48
LPAR1 Q92633 1/20 0.46
AKR1B10 O60218 1/20 0.43
AKR1A1 P14550 1/20 0.43
AKR1B1 P15121 1/20 0.43
SCN9A Q15858 3/20 0.39
PDE5A O76074 1/20 0.38
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL15565991 1.00 ENPP2 (0.48) ENPP2LPAR1AKR1B10AKR1A1AKR1B1
SCHEMBL15565398 0.90 ENPP2 (0.45) ENPP2LPAR1AKR1B10AKR1A1AKR1B1
SCHEMBL15565399 0.90 ENPP2 (0.45) ENPP2LPAR1AKR1B10AKR1A1AKR1B1
SCHEMBL20404041 0.89 ENPP2 (0.41) ENPP2LPAR1SCN9APDE5ACYP2C9
SCHEMBL15567292 0.88 ENPP2 (0.40) ENPP2LPAR1AKR1B10AKR1A1AKR1B1
SCHEMBL15567290 0.88 ENPP2 (0.40) ENPP2LPAR1AKR1B10AKR1A1AKR1B1
SCHEMBL20403951 0.81 ENPP2 (0.45) ENPP2LPAR1
SCHEMBL15599982 0.81 ENPP2 (0.47) ENPP2LPAR1AKR1B10AKR1A1AKR1B1
SCHEMBL20403997 0.80 ENPP2 (0.49) ENPP2LPAR1AKR1B10AKR1A1AKR1B1
SCHEMBL15599979 0.80 ENPP2 (0.49) ENPP2LPAR1AKR1B10AKR1A1AKR1B1

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 1/4885LPAR1 8/4885AKR1B10 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.