SCHEMBL1786493

SCHEMBL1786493

C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc2c(c1)CCN(CCC(=O)O)C2

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.64
S1PR3 Q99500 15/20 0.64
S1PR4 O95977 1/20 0.59
S1PR5 Q9H228 1/20 0.59

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
SCHEMBL1567290 1.00 S1PR1 (0.64) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1567835 0.89 S1PR1 (0.52) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1786750 0.89 S1PR1 (0.52) S1PR1S1PR3S1PR4S1PR5
SCHEMBL2168010 0.84 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5
SCHEMBL26291076 0.81 S1PR1 (0.73) S1PR1S1PR3S1PR4S1PR5
SCHEMBL19789626 0.81 S1PR1 (0.54) S1PR1S1PR3S1PR4S1PR5
SCHEMBL2180247 0.80 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5
SCHEMBL26291043 0.80 S1PR1 (0.72) S1PR1S1PR3S1PR4S1PR5
SCHEMBL27876603 0.80 S1PR1 (0.80) S1PR1S1PR3S1PR4S1PR5
SCHEMBL26291073 0.80 S1PR1 (0.67) S1PR1S1PR3S1PR4S1PR5

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 33 patents — showing the first 20. 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-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2016-12-14 EP claimed
EP-2695615-A2 Sphingosine 1 phosphate receptor modulators and their use to treat muscle inflammation Novartis AG (CH) 2014-02-12 EP claimed
EP-2514743-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2012-10-24 EP claimed
JP-4700616-B2 2011-06-15 JP 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
EP-1633336-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-10-29 EP claimed
EP-1633336-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-15 EP claimed
US-20050014728-A1 Immunosuppressant compounds and compositions IRM LLC 2005-01-20 US claimed
WO-2004103306-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 WO 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-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
EP-1633336-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-10-29 EP disclosed
EP-1633336-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-15 EP disclosed
US-20050014728-A1 Immunosuppressant compounds and compositions IRM LLC 2005-01-20 US disclosed
WO-2004103306-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 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 (3 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 142/4885S1PR4 211/4885
US-20090036423-A1 IMMUNOSUPPRESANT COMPOUNDS AND COMPOSITIONS EDNRA, NFATC1, FCGR1A S1PR1 163/4885S1PR3 189/4885S1PR4 278/4885
US-20110124620-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODUATORS AND THEIR USE TO TREAT MUSCLE INFLAMMATION S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR4 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.