SCHEMBL1497912

SCHEMBL1497912

Cc1cccc(OCCOc2ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.68
S1PR3 Q99500 16/20 0.63
S1PR4 O95977 3/20 0.56
S1PR5 Q9H228 3/20 0.56
S1PR2 O95136 2/20 0.56

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
SCHEMBL13576869 0.88 S1PR1 (0.77) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL1497903 0.88 S1PR1 (0.65) S1PR1S1PR3
SCHEMBL1497796 0.88 S1PR1 (0.65) S1PR1S1PR3
SCHEMBL1497967 0.86 S1PR1 (0.76) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL5930534 0.85 S1PR1 (0.52) S1PR1S1PR3
SCHEMBL688479 0.85 S1PR1 (0.76) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL1497955 0.82 S1PR1 (0.74) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL13614243 0.81 S1PR1 (0.82) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL1497854 0.79 S1PR1 (0.81) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL1497928 0.79 S1PR1 (0.81) S1PR1S1PR3S1PR4S1PR5S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277194-A1 AMINOPROPANOL DERIVATIVES ALBERT RAINER (CH) 2012-11-01 US disclosed
US-20120277194-A1 AMINOPROPANOL DERIVATIVES ALBERT RAINER (CH) 2012-11-01 US disclosed
US-20120277194-A1 AMINOPROPANOL DERIVATIVES ALBERT RAINER (CH) 2012-11-01 US disclosed
US-20110118210-A1 AMINOPROPANOL DERIVATIVES ALBERT RAINER 2011-05-19 US disclosed
US-20110118210-A1 AMINOPROPANOL DERIVATIVES ALBERT RAINER 2011-05-19 US disclosed
US-20110118210-A1 AMINOPROPANOL DERIVATIVES ALBERT RAINER 2011-05-19 US disclosed
US-7902175-B2 Aminopropanol derivatives NOVARTIS AG (CH) 2011-03-08 US disclosed
US-7902175-B2 Aminopropanol derivatives NOVARTIS AG (CH) 2011-03-08 US disclosed
US-7902175-B2 Aminopropanol derivatives NOVARTIS AG (CH) 2011-03-08 US disclosed
EP-1660449-B1 AMINOPROPANOL DERIVATIVES NOVARTIS AG (CH) 2009-11-18 EP disclosed
US-20090156556-A1 AMINOPROPANOL DERIVATIVES ALBERT RAINER 2009-06-18 US disclosed
US-20090156556-A1 AMINOPROPANOL DERIVATIVES ALBERT RAINER 2009-06-18 US disclosed
US-20090156556-A1 AMINOPROPANOL DERIVATIVES ALBERT RAINER 2009-06-18 US disclosed
US-7528120-B2 Aminopropanol derivatives NOVARTIS AG (CH) 2009-05-05 US disclosed
US-7528120-B2 Aminopropanol derivatives NOVARTIS AG (CH) 2009-05-05 US disclosed
US-7528120-B2 Aminopropanol derivatives NOVARTIS AG (CH) 2009-05-05 US disclosed
US-20060264403-A1 Aminopropanol derivatives NOVARTIS AG (CH) 2006-11-23 US disclosed
EP-1660449-A1 AMINOPROPANOL DERIVATIVES Novartis AG (CH) 2006-05-31 EP disclosed
WO-2005021503-A1 AMINOPROPANOL DERIVATIVES NOVARTIS AG (CH) 2005-03-10 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 (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-20110118210-A1 AMINOPROPANOL DERIVATIVES ADRB1, ADRA1D, ADRA1A S1PR1 3197/4885S1PR3 2743/4885S1PR4 3844/4885
US-20090156556-A1 AMINOPROPANOL DERIVATIVES ADRB1, ADRA1D, ADRA1A S1PR1 3197/4885S1PR3 2743/4885S1PR4 3844/4885
US-20120277194-A1 AMINOPROPANOL DERIVATIVES ADRB1, ADRA1D, ADRA1A S1PR1 3197/4885S1PR3 2743/4885S1PR4 3844/4885
US-20060264403-A1 Aminopropanol derivatives ADRB1, ADRA1D, ADRA1A S1PR1 3197/4885S1PR3 2743/4885S1PR4 3844/4885

“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.