SCHEMBL296270

SCHEMBL296270

COc1cc(CC[C@@](C)(N)COP(=O)(O)O)cc(Cl)c1OCCCC(F)(F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.46
S1PR3 Q99500 11/20 0.46
S1PR5 Q9H228 5/20 0.46
S1PR4 O95977 4/20 0.46
S1PR2 O95136 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34

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
SCHEMBL295723 0.85 SMN1; SMN2 (0.40) S1PR1S1PR3S1PR2LPAR2NR1H2
SCHEMBL295722 0.85 SMN1; SMN2 (0.40) S1PR1S1PR3S1PR2LPAR2NR1H2
Hydrochloric Acid SCHEMBL296349 0.84 SMN1; SMN2 (0.39) S1PR1S1PR3S1PR2LPAR2NR1H2
Hydrochloric Acid SCHEMBL296348 0.84 SMN1; SMN2 (0.39) S1PR1S1PR3S1PR2LPAR2NR1H2
SCHEMBL296377 0.82 S1PR1 (0.56) S1PR1S1PR3S1PR5S1PR4
SCHEMBL296047 0.80 S1PR1 (0.66) S1PR1S1PR3S1PR5S1PR4S1PR2
SCHEMBL13385093 0.79 SMN1; SMN2 (0.41) S1PR1S1PR3S1PR2LPAR2NR1H2
SCHEMBL13614239 0.78 S1PR1 (0.72) S1PR1S1PR3S1PR5S1PR4
SCHEMBL295947 0.75 S1PR2 (0.36) S1PR1S1PR3S1PR2LPAR2
SCHEMBL295021 0.72 S1PR1 (0.48) S1PR1S1PR3S1PR5S1PR4S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636171-B1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2012-03-14 EP claimed
EP-1636171-B1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2012-03-14 EP disclosed
EP-1636171-B1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-7696184-B2 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2010-04-13 US disclosed
US-7696184-B2 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2010-04-13 US disclosed
US-7696184-B2 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2010-04-13 US disclosed
US-20070010494-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2007-01-11 US disclosed
US-20070010494-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2007-01-11 US disclosed
US-20070010494-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2007-01-11 US disclosed
EP-1636171-A2 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATOR Novartis AG (CH) 2006-03-22 EP disclosed
WO-2004110979-A2 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATOR NOVARTIS AG (CH) 2004-12-23 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 (1 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-20070010494-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885S1PR5 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.