SCHEMBL688475

SCHEMBL688475

CC(C)(C)OC(=O)N[C@@](C)(CO)CCc1ccc(OCCCOc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.47
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
PPARA Q07869 3/20 0.44
S1PR4 O95977 2/20 0.43
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
FFAR1 O14842 2/20 0.43
S1PR5 Q9H228 1/20 0.43

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
SCHEMBL4816575 0.94 FFAR1 (0.51) PPARGPPARAS1PR1S1PR3FFAR1
SCHEMBL13628910 0.91 S1PR1 (0.50) ITGB3ITGA2BS1PR4S1PR1S1PR3
SCHEMBL296830 0.88 S1PR1 (0.54) S1PR4S1PR1S1PR3S1PR5
SCHEMBL4817662 0.88 FFAR1 (0.50) PPARGFFAR1
SCHEMBL1624956 0.87 S1PR1 (0.56) S1PR4S1PR1S1PR3S1PR5
SCHEMBL12721394 0.87 S1PR1 (0.56) S1PR4S1PR1S1PR3S1PR5
SCHEMBL13614219 0.86 CA12 (0.51) PPARGPPARA
SCHEMBL6261071 0.84 FFAR1 (0.50) PPARGPPARAS1PR1S1PR3FFAR1
SCHEMBL4818486 0.81 S1PR1 (0.54) PPARGS1PR4S1PR1S1PR3FFAR1
SCHEMBL7708027 0.81 FFAR1 (0.48) PPARGS1PR4S1PR1S1PR3FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622860-B1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORs NOVARTIS AG (CH) 2012-02-29 EP disclosed
US-7625950-B2 Mono phosphoric acid mono-{2-amino-2-hydroxymethyl-4-[4-(3-phenoxy-propoxy)-phenyl]-butyl} ester; treatment, prevention of diseases or disorders mediated by lymphocytes interactions in transplantation; anticarcinogenic agent, antiinflammatory agent, antiproliferative agent, antidiabetic agent NOVARTIS AG (CH) 2009-12-01 US disclosed
US-20060211658-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2006-09-21 US disclosed
EP-1622860-A1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATOR Novartis AG (CH) 2006-02-08 EP disclosed
WO-2004096752-A1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATOR NOVARTIS AG (CH) 2004-11-11 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-20060211658-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator S1PR1, S1PR3, S1PR2 PPARG 745/4885ITGB3 1280/4885ITGA2B 1938/4885

“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.