SCHEMBL1788751

SCHEMBL1788751

CCc1cc(CON=C(C)c2ccc(C3CCCCC3)c(CC)c2)ccc1CN1CC(C(=O)O)C1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.82
S1PR3 Q99500 14/20 0.82
S1PR5 Q9H228 2/20 0.82
S1PR4 O95977 1/20 0.82
PDGFRA P16234 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL12555298 1.00 S1PR1 (0.82) S1PR1S1PR3S1PR5S1PR4PDGFRA
SCHEMBL1567771 1.00 S1PR1 (0.82) S1PR1S1PR3S1PR5S1PR4PDGFRA
SCHEMBL1567772 1.00 S1PR1 (0.82) S1PR1S1PR3S1PR5S1PR4PDGFRA
SCHEMBL1567330 0.93 S1PR1 (0.80) S1PR1S1PR3S1PR5S1PR4PDGFRA
SCHEMBL1567333 0.93 S1PR1 (0.80) S1PR1S1PR3S1PR5S1PR4PDGFRA
SCHEMBL23441723 0.93 S1PR1 (0.79) S1PR1S1PR3S1PR5S1PR4PDGFRA
SCHEMBL1568461 0.93 S1PR1 (0.79) S1PR1S1PR3S1PR5S1PR4
SCHEMBL17164589 0.93 S1PR1 (0.79) S1PR1S1PR3S1PR5S1PR4PDGFRA
SCHEMBL1568462 0.93 S1PR1 (0.79) S1PR1S1PR3S1PR5S1PR4
SCHEMBL1567365 0.93 S1PR1 (0.72) S1PR1S1PR3S1PR5S1PR4PDGFRA

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3272736-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2018-01-24 EP claimed
EP-3138835-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2017-03-08 EP claimed
EP-2514743-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2012-10-24 EP claimed
US-20110124620-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODUATORS AND THEIR USE TO TREAT MUSCLE INFLAMMATION NOVARTIS AG (CH) 2011-05-26 US claimed
US-20090036423-A1 IMMUNOSUPPRESANT COMPOUNDS AND COMPOSITIONS NOVARTIS PHARMACEUTICALS CORPORATION 2009-02-05 US claimed
US-20050014728-A1 Immunosuppressant compounds and compositions IRM LLC 2005-01-20 US claimed
EP-3272736-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2018-01-24 EP disclosed
EP-3138835-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2017-03-08 EP disclosed
EP-2514743-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2016-12-14 EP disclosed
US-20160175282-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODUATORS AND THEIR USE TO TREAT MUSCLE INFLAMMATION LONDEL MARCO (US) 2016-06-23 US disclosed
US-9149459-B2 Sphingosine 1 phosphate receptor modulators and their use to treat muscle inflammation NOVARTIS AG (CH) 2015-10-06 US disclosed
EP-2307007-B1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND THEIR USE TO TREAT MUSCLE INFLAMMATION NOVARTIS AG (CH) 2014-08-27 EP disclosed
EP-2695615-A2 Sphingosine 1 phosphate receptor modulators and their use to treat muscle inflammation Novartis AG (CH) 2014-02-12 EP disclosed
EP-2514743-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2012-10-24 EP disclosed
US-20110124620-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODUATORS AND THEIR USE TO TREAT MUSCLE INFLAMMATION NOVARTIS AG (CH) 2011-05-26 US disclosed
US-7939519-B2 Immunosuppresant compounds and compositions NOVARTIS AG (CH) 2011-05-10 US disclosed
US-20090036423-A1 IMMUNOSUPPRESANT COMPOUNDS AND COMPOSITIONS NOVARTIS PHARMACEUTICALS CORPORATION 2009-02-05 US disclosed
US-20050014728-A1 Immunosuppressant compounds and compositions IRM LLC 2005-01-20 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 (4 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-20050014728-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 S1PR1 133/4885S1PR3 142/4885S1PR5 70/4885
US-20090036423-A1 IMMUNOSUPPRESANT COMPOUNDS AND COMPOSITIONS EDNRA, NFATC1, FCGR1A S1PR1 163/4885S1PR3 189/4885S1PR5 124/4885
US-20160175282-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODUATORS AND THEIR USE TO TREAT MUSCLE INFLAMMATION S1PR1, S1PR2, S1PR4 S1PR1 1/4885S1PR3 4/4885S1PR5 5/4885
US-20110124620-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODUATORS AND THEIR USE TO TREAT MUSCLE INFLAMMATION S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR5 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.