SCHEMBL4816575

SCHEMBL4816575

CC(C)(C)OC(=O)N[C@@](C)(CO)CCc1ccc(OCCCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.51
PPARG P37231 5/20 0.49
S1PR1 P21453 3/20 0.48
S1PR3 Q99500 1/20 0.48
PPARA Q07869 2/20 0.47

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
SCHEMBL688475 0.94 PPARG (0.47) FFAR1PPARGS1PR1S1PR3PPARA
SCHEMBL6261071 0.90 FFAR1 (0.50) FFAR1PPARGS1PR1S1PR3PPARA
SCHEMBL4817662 0.90 FFAR1 (0.50) FFAR1PPARG
SCHEMBL13628910 0.90 S1PR1 (0.50) S1PR1S1PR3
SCHEMBL13614219 0.88 CA12 (0.51) PPARGPPARA
SCHEMBL296830 0.87 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL4818486 0.87 S1PR1 (0.54) FFAR1PPARGS1PR1S1PR3
SCHEMBL12721394 0.86 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL1624956 0.86 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL7708027 0.84 FFAR1 (0.48) FFAR1PPARGS1PR1S1PR3

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 7 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
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 FFAR1 255/4885PPARG 1380/4885S1PR1 525/4885

“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.