SCHEMBL2452896

SCHEMBL2452896

CC(N)(COP(=O)(O)O)c1ccc2c(C(F)(F)F)c(OC3CCC(C(C)(F)F)CC3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 15/20 0.49
LPAR1 Q92633 1/20 0.38
S1PR4 O95977 5/20 0.33
S1PR1 P21453 5/20 0.33
S1PR5 Q9H228 5/20 0.33
S1PR3 Q99500 1/20 0.32

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
SCHEMBL2452889 1.00 ENPP2 (0.49) ENPP2LPAR1S1PR4S1PR1S1PR5
SCHEMBL2452892 1.00 ENPP2 (0.49) ENPP2LPAR1S1PR4S1PR1S1PR5
SCHEMBL2452188 0.95 ENPP2 (0.55) ENPP2LPAR1S1PR4S1PR1S1PR5
SCHEMBL16457384 0.95 ENPP2 (0.55) ENPP2LPAR1S1PR4S1PR1S1PR5
SCHEMBL2453707 0.95 ENPP2 (0.49) ENPP2LPAR1S1PR4S1PR1S1PR5
SCHEMBL2481882 0.93 ENPP2 (0.47) ENPP2LPAR1S1PR4S1PR1S1PR5
SCHEMBL2453221 0.91 ENPP2 (0.45) ENPP2LPAR1S1PR4S1PR1S1PR5
SCHEMBL2451997 0.90 ENPP2 (0.44) ENPP2LPAR1S1PR4S1PR1S1PR5
SCHEMBL2451998 0.90 ENPP2 (0.44) ENPP2LPAR1S1PR4S1PR1S1PR5
SCHEMBL2452002 0.90 ENPP2 (0.44) ENPP2LPAR1S1PR4S1PR1S1PR5

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 12 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 claimed
US-8546359-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2013-10-01 US claimed
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2013-03-07 US claimed
US-8269043-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2012-09-18 US claimed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US claimed
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
EP-2364088-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP disclosed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US disclosed
WO-2010051030-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2010-05-06 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 (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 10/4885S1PR4 3/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 ENPP2 83/4885LPAR1 10/4885S1PR4 4/4885

“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.