SCHEMBL11942476

SCHEMBL11942476

CCC(C)(C)[C@H]1CC[C@H](Oc2ccc3cc(CN4CC(C(=O)OC)C4)ccc3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.45
▸ S1PR1 P21453 6/20 0.42
▸ S1PR5 Q9H228 2/20 0.41
▸ MCHR1 Q99705 1/20 0.40
▸ FAAH O00519 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL18532991 1.00 ENPP2 (0.45) ENPP2S1PR1S1PR5MCHR1FAAH
SCHEMBL19272315 0.92 KDM4E (0.47) ENPP2S1PR5KDM4EALDH1A1
SCHEMBL1161619 0.91 ENPP2 (0.52) ENPP2S1PR1S1PR5MCHR1FAAH
SCHEMBL11942474 0.91 ENPP2 (0.52) ENPP2S1PR1S1PR5MCHR1FAAH
SCHEMBL11942416 0.91 ENPP2 (0.52) ENPP2S1PR1S1PR5MCHR1FAAH
SCHEMBL1161617 0.91 ENPP2 (0.52) ENPP2S1PR1S1PR5MCHR1FAAH
SCHEMBL11027729 0.90 ENPP2 (0.55) ENPP2S1PR1S1PR5
SCHEMBL11027732 0.90 ENPP2 (0.55) ENPP2S1PR1S1PR5
SCHEMBL1161395 0.89 ENPP2 (0.45) ENPP2S1PR1S1PR5MCHR1FAAH
SCHEMBL1161396 0.89 ENPP2 (0.45) ENPP2S1PR1S1PR5MCHR1FAAH

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2019-07-11 — — US disclosed
US-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2019-01-01 — — US disclosed
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-05-17 — — US disclosed
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-05-17 — — US disclosed
US-9827258-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-11-28 — — US disclosed
US-9827258-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-11-28 — — US disclosed
US-20170239280-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2017-08-24 — — US disclosed
US-20170239280-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2017-08-24 — — US disclosed
US-9572824-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-02-21 — — US disclosed
US-9572824-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-02-21 — — US disclosed
US-20160129023-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. 2016-05-12 — — US disclosed
US-9186367-B2 Bicyclic aryl sphingosine 1-phosphate analogs BOIGEN MA INC. (US) 2015-11-17 — — US disclosed
US-9186367-B2 Bicyclic aryl sphingosine 1-phosphate analogs BOIGEN MA INC. (US) 2015-11-17 — — US disclosed
US-20140309190-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2014-10-16 — — US disclosed
US-20140309190-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2014-10-16 — — US disclosed
US-8802659-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2014-08-12 — — US disclosed
US-8802659-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2014-08-12 — — US disclosed
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2012-07-26 — — US disclosed
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2012-07-26 — — US disclosed
WO-2011017561-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2011-02-10 — — 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 (7 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-20160129023-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 ENPP2 132/4885S1PR1 1/4885S1PR5 6/4885
US-20140309190-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 ENPP2 132/4885S1PR1 1/4885S1PR5 6/4885
US-20170239280-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 ENPP2 32/4885S1PR1 1/4885S1PR5 5/4885
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 ENPP2 132/4885S1PR1 1/4885S1PR5 6/4885
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 ENPP2 32/4885S1PR1 1/4885S1PR5 5/4885
US-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 ENPP2 132/4885S1PR1 1/4885S1PR5 6/4885
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 ENPP2 32/4885S1PR1 1/4885S1PR5 5/4885

“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.

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