SCHEMBL6428128

SCHEMBL6428128

COc1ccc(CCCOc2ccc(CC[C@@](C)(N)COP(=O)(O)O)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.76
S1PR3 Q99500 19/20 0.76
S1PR5 Q9H228 12/20 0.76
S1PR4 O95977 11/20 0.76
S1PR2 O95136 1/20 0.48

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
SCHEMBL4821435 0.91 S1PR1 (0.76) S1PR1S1PR3S1PR5S1PR4
SCHEMBL4825689 0.87 S1PR1 (0.78) S1PR1S1PR3S1PR5S1PR4S1PR2
SCHEMBL773864 0.87 S1PR1 (0.98) S1PR1S1PR3S1PR5S1PR4S1PR2
SCHEMBL4821551 0.86 S1PR1 (0.80) S1PR1S1PR3S1PR5S1PR4S1PR2
SCHEMBL13614239 0.86 S1PR1 (0.72) S1PR1S1PR3S1PR5S1PR4
SCHEMBL4817638 0.86 S1PR1 (1.00) S1PR1S1PR3S1PR5S1PR4S1PR2
SCHEMBL4817298 0.86 S1PR1 (1.00) S1PR1S1PR3S1PR5S1PR4S1PR2
SCHEMBL12084862 0.86 S1PR1 (1.00) S1PR1S1PR3S1PR5S1PR4S1PR2
SCHEMBL13614240 0.85 S1PR1 (0.81) S1PR1S1PR3S1PR5S1PR4
SCHEMBL688539 0.85 S1PR1 (0.73) S1PR1S1PR3S1PR5S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326801-B2 2-amino-propanol derivatives NOVARTIS AG (CH) 2008-02-05 US disclosed
US-7326801-B2 2-amino-propanol derivatives NOVARTIS AG (CH) 2008-02-05 US disclosed
EP-1377593-B1 2-AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2005-12-28 EP disclosed
US-20040147490-A1 2-Amino-propanol derivatives ALBERT RAINER (CH) 2004-07-29 US disclosed
EP-1377593-A2 2-AMINO-PROPANOL DERIVATIVES Novartis AG (CH) 2004-01-07 EP disclosed
WO-2002076995-A2 2-AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2002-10-03 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-20040147490-A1 2-Amino-propanol derivatives CD4, HLA-DRB1, CCR1 S1PR1 525/4885S1PR3 493/4885S1PR5 1354/4885

“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.