SCHEMBL2473995

SCHEMBL2473995

CCCCCCCCc1ccc(CCC(O)(CN)CCO)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.59
S1PR4 O95977 7/20 0.59
S1PR3 Q99500 7/20 0.59
TNNC1 P63316 5/20 0.59
S1PR5 Q9H228 5/20 0.59
SGPL1 O95470 1/20 0.59
GPR183 P32249 1/20 0.59
CERS2 Q96G23 1/20 0.59
SPHK2 Q9NRA0 3/20 0.54
HTR2A P28223 1/20 0.53
S1PR2 O95136 5/20 0.51
SPHK1 Q9NYA1 1/20 0.51
ENPP2 Q13822 1/20 0.50
ESR1 P03372 2/20 0.49
ADRA2A P08913 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
TACR2 P21452 2/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49

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
SCHEMBL14820417 1.00 S1PR1 (0.59) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL14820416 1.00 S1PR1 (0.59) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL15650213 0.89 S1PR1 (0.65) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL177208 0.82 TNNC1 (0.68) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL7614952 0.80 S1PR1 (0.79) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL23785536 0.77 TNNC1 (0.70) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL7614987 0.77 S1PR1 (0.85) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL7614688 0.77 S1PR1 (0.85) S1PR1S1PR4S1PR3TNNC1S1PR5
Hydrochloric Acid SCHEMBL7707997 0.77 S1PR1 (0.68) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL7620859 0.77 S1PR1 (0.85) S1PR1S1PR4S1PR3TNNC1S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10111841-B2 Stabilization of alcohol intoxication-induced cardiovascular instability UNIVERSITY OF SOUTH FLORIDA (US) 2018-10-30 US disclosed
US-9763980-B2 Combined chemical modification of sphingosine-1-phosphate (S1P) and CXCR4 signalling pathways for hematopoietic stem cell (HSC) mobilization and engraftment CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-09-19 US disclosed
US-20170020826-A1 STABILIZATION OF ALCOHOL INTOXICATION-INDUCED CARDIOVASCULAR INSTABILITY UNIVERSITY OF SOUTH FLORIDA (US) 2017-01-26 US disclosed
US-20140193376-A1 COMBINED CHEMICAL MODIFICATION OF SPHINGOSINE-1-PHOSPHATE (S1P) AND CXCR4 SIGNALLING PATHWAYS FOR HEMATOPOIETIC STEM CELL (HSC) MOBILIZATION AND ENGRAFTMENT CHILDREN'S MEDICAL CENTER CORPORATION (US) 2014-07-10 US disclosed
EP-2720690-A1 COMBINED CHEMICAL MODIFICATION OF SPHINGOSINE-1-PHOSPHATE (S1P) AND CXCR4 SIGNALLING PATHWAYS FOR HEMATOPOIETIC STEM CELL (HSC) MOBILIZATION AND ENGRAFTMENT Children's Medical Center Corporation (US) 2014-04-23 EP disclosed
US-20130079309-A1 Method Of Treating Acute Lung Injury Using Sphingosine 1 Phosphate Analogs Or Sphingosine 1 Phosphate Receptor Agonists THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-03-28 US disclosed
WO-2012174522-A1 COMBINED CHEMICAL MODIFICATION OF SPHINGOSINE-1-PHOSPHATE (S1P) AND CXCR4 SIGNALLING PATHWAYS FOR HEMATOPOIETIC STEM CELL (HSC) MOBILIZATION AND ENGRAFTMENT CHILDREN'S MEDICAL CENTER CORPORATION (US) 2012-12-20 WO disclosed
WO-2011109650-A1 METHOD OF TREATING ACUTE LUNG INJURY USING SPHINGOSINE 1 PHOSPHATE ANALOGES OR SPHINGOSINE 1 PHOSPHATE RECEPTOR AGONISTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-09-09 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-20140193376-A1 COMBINED CHEMICAL MODIFICATION OF SPHINGOSINE-1-PHOSPHATE (S1P) AND CXCR4 SIGNALLING PATHWAYS FOR HEMATOPOIETIC STEM CELL (HSC) MOBILIZATION AND ENGRAFTMENT S1PR1, S1PR4, S1PR3 S1PR1 1/4885S1PR4 2/4885S1PR3 3/4885
US-20130079309-A1 Method Of Treating Acute Lung Injury Using Sphingosine 1 Phosphate Analogs Or Sphingosine 1 Phosphate Receptor Agonists S1PR1, S1PR5, S1PR3 S1PR1 1/4885S1PR4 6/4885S1PR3 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.