SCHEMBL2777166

SCHEMBL2777166

CCCCC1CCC(Oc2ccc3cc(C4(NC(=O)OC(C)(C)C)COC(C)(C)OC4)ccc3c2C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 12/20 0.39
LPAR1 Q92633 1/20 0.32
PDE4D Q08499 3/20 0.31
IDO1 P14902 1/20 0.31
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31

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
SCHEMBL2777169 1.00 ENPP2 (0.39) ENPP2LPAR1PDE4DIDO1PDE4A
SCHEMBL2485818 0.90 PDE4D (0.32) PDE4DIDO1PDE4APDE4BPDE4C
SCHEMBL2485819 0.90 PDE4D (0.32) PDE4DIDO1PDE4APDE4BPDE4C
SCHEMBL2779306 0.89 ENPP2 (0.43) ENPP2LPAR1
SCHEMBL2453736 0.89 ENPP2 (0.47) ENPP2LPAR1IDO1
SCHEMBL2485565 0.89 ENPP2 (0.43) ENPP2LPAR1
SCHEMBL2485600 0.85 ACACB (0.33)
SCHEMBL2779836 0.85 ACACB (0.33)
SCHEMBL2521339 0.83 ENPP2 (0.42) ENPP2LPAR1
SCHEMBL2449275 0.79 RORC (0.31)

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-2364088-B1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC INC (US) 2014-04-16 EP disclosed
US-8546359-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2013-10-01 US disclosed
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2013-03-07 US disclosed
US-8269043-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2012-09-18 US disclosed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US 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 (2 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-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 ENPP2 32/4885LPAR1 10/4885PDE4D 426/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 ENPP2 83/4885LPAR1 10/4885PDE4D 1052/4885

“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.