SCHEMBL2292830

SCHEMBL2292830

CCCCCCCCc1ccc(C2CCC(N)(COP(=O)(O)O)C2)cc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 2/20 0.76
S1PR1 P21453 15/20 0.62
S1PR4 O95977 1/20 0.62
S1PR5 Q9H228 1/20 0.62
SGPL1 O95470 7/20 0.61

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
SCHEMBL4159967 1.00 S1PR3 (0.76) S1PR3S1PR1S1PR4S1PR5SGPL1
SCHEMBL4159965 1.00 S1PR3 (0.76) S1PR3S1PR1S1PR4S1PR5SGPL1
SCHEMBL4176098 1.00 S1PR3 (0.76) S1PR3S1PR1S1PR4S1PR5SGPL1
SCHEMBL10299886 1.00 S1PR3 (0.76) S1PR3S1PR1S1PR4S1PR5SGPL1
SCHEMBL4173837 1.00 S1PR3 (0.76) S1PR3S1PR1S1PR4S1PR5SGPL1
SCHEMBL10078592 1.00 S1PR3 (0.76) S1PR3S1PR1S1PR4S1PR5SGPL1
SCHEMBL4173831 1.00 S1PR3 (0.76) S1PR3S1PR1S1PR4S1PR5SGPL1
SCHEMBL10078494 1.00 S1PR3 (0.76) S1PR3S1PR1S1PR4S1PR5SGPL1
SCHEMBL10078493 1.00 S1PR3 (0.76) S1PR3S1PR1S1PR4S1PR5SGPL1
SCHEMBL10299885 1.00 S1PR3 (0.76) S1PR3S1PR1S1PR4S1PR5SGPL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682078-B2 Compositions and methods for tissue engineering and cell based therapies UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-06-20 US disclosed
US-8329676-B2 Cycloalkane-containing sphingosine 1-phosphate agonists UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-12-11 US disclosed
WO-2012129073-A2 COMPOSITIONS AND METHODS FOR TISSUE ENGINEERING AND CELL BASED THERAPIES UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-09-27 WO disclosed
US-8008286-B2 Method for treatment of neuropathic pain UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-08-30 US disclosed
US-20100249074-A1 BENZYL-CYCLOALKYL SPHINGOSINE 1-PHOSPHATE RECEPTOR MODULATORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2010-09-30 US disclosed
US-7754703-B2 Cycloalkane-containing sphingosine 1-phosphate agonists UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-07-13 US disclosed
EP-2203409-A2 BENZYL-CYCLOALKYL SPHINGOSINE 1-PHOSPHATE RECEPTOR MODULATORS University Of Virginia Patent Foundation (US) 2010-07-07 EP disclosed
WO-2009043013-A2 BENZYL-CYCLOALKYL SPHINGOSINE 1-PHOSPHATE RECEPTOR MODULATORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-04-02 WO disclosed
US-20090062238-A1 METHOD FOR TREATMENT OF NEUROPATHIC PAIN UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-03-05 US disclosed
US-20080249070-A1 Cycloalkane-Containing Sphingosine 1-Phospate Agonists UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2008-10-09 US disclosed
EP-1863463-A1 SPHINGOSINE 1-PHOSPHATE AGONISTS COMPRISING CYCLOALKANES AND 5-MEMBERED HETEROCYCLES SUBSTITUED BY AMINO AND PHENYL GROUPS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-12-12 EP disclosed
WO-2007089715-A2 METHOD FOR TREATMENT OF NEUROPATHIC PAIN UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-08-09 WO disclosed
WO-2006088944-A1 SPHINGOSINE 1- PHOS PHATE AGONISTS COMPRISING CYCLOALKANES AND 5 -MEMBERED HETEROCYCLES SUBSTITUTED BY AMINO AND PHENYL GROUPS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2006-08-24 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-20090062238-A1 METHOD FOR TREATMENT OF NEUROPATHIC PAIN S1PR2, S1PR1, S1PR4 S1PR3 5/4885S1PR1 2/4885S1PR4 3/4885
US-20080249070-A1 Cycloalkane-Containing Sphingosine 1-Phospate Agonists S1PR1, S1PR3, S1PR4 S1PR3 2/4885S1PR1 1/4885S1PR4 3/4885
US-20100249074-A1 BENZYL-CYCLOALKYL SPHINGOSINE 1-PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR3, S1PR4 S1PR3 2/4885S1PR1 1/4885S1PR4 3/4885

“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.