SCHEMBL1625903

SCHEMBL1625903

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
MIF P14174 1/20 0.43
KDM4E B2RXH2 1/20 0.40
F13A1 P00488 1/20 0.40
ESRRG P62508 3/20 0.39
ESRRB O95718 2/20 0.39
GAA P10253 1/20 0.39
NQO2 P16083 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA2 P00918 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
AAK1 Q2M2I8 1/20 0.36

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
SCHEMBL12721376 1.00 CTSS (0.43) CTSSCTSKMIFKDM4EF13A1
SCHEMBL12721396 0.89 NPC1 (0.44) GAACA12CA1CA7CA14
SCHEMBL13614219 0.87 CA12 (0.51) CTSSCTSKCA12CA1CA7
SCHEMBL4297214 0.84 KDM4E (0.42) KDM4EF13A1ESRRGESRRBCA2
SCHEMBL4297210 0.84 KDM4E (0.42) KDM4EF13A1ESRRGESRRBCA2
SCHEMBL4817662 0.82 FFAR1 (0.50) KDM4E
SCHEMBL3742023 0.82 ALDH1A1 (0.46) GAACA12CA1CA7CA14
SCHEMBL13628910 0.82 S1PR1 (0.50) KDM4ECA12CA1CA2
SCHEMBL10476123 0.82 ALDH1A1 (0.46) GAACA12CA1CA7CA14
SCHEMBL1626585 0.81 ADRB3 (0.38) AAK1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622866-B1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2012-07-25 EP disclosed
US-7928093-B2 Amino-propanol derivatives NOVARTIS AG (CH) 2011-04-19 US disclosed
US-7928093-B2 Amino-propanol derivatives NOVARTIS AG (CH) 2011-04-19 US disclosed
US-7928093-B2 Amino-propanol derivatives NOVARTIS AG (CH) 2011-04-19 US disclosed
US-7825260-B2 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators NOVARTIS AG (CH) 2010-11-02 US disclosed
US-7728020-B2 Amino acid derivatives NOVARTIS AG (CH) 2010-06-01 US disclosed
US-7612238-B2 Such as (R)-2-amino-2-methyl-4-[4-(4,4,5,5,5-pentafluoro-pentyloxy)-phenyl]-butan-1-ol hydrochloride for treatment of disorders or diseases mediated by lymphocytes, and for treating acute or chronic transplant rejection or T-cell-mediated inflammatory or autoimmune diseases NOVARTIS AG (CH) 2009-11-03 US disclosed
US-7612238-B2 Such as (R)-2-amino-2-methyl-4-[4-(4,4,5,5,5-pentafluoro-pentyloxy)-phenyl]-butan-1-ol hydrochloride for treatment of disorders or diseases mediated by lymphocytes, and for treating acute or chronic transplant rejection or T-cell-mediated inflammatory or autoimmune diseases NOVARTIS AG (CH) 2009-11-03 US disclosed
EP-1753712-B1 AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2009-05-13 EP disclosed
EP-1753712-B1 AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2009-05-13 EP disclosed
EP-1725519-A1 AMINO ACID DERIVATIVES Novartis AG (CH) 2006-11-29 EP disclosed
US-20060211656-A1 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators NOVARTIS AG (CH) 2006-09-21 US disclosed
EP-1622866-A1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS Novartis AG (CH) 2006-02-08 EP disclosed
EP-1377593-B1 2-AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2005-12-28 EP disclosed
WO-2005118523-A1 AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2005-12-15 WO disclosed
WO-2005085179-A1 AMINO ACID DERIVATIVES NOVARTIS AG (CH) 2005-09-15 WO disclosed
WO-2004096757-A1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2004-11-11 WO 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 (2 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-20060211656-A1 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators S1PR1, S1PR3, S1PR2 CTSS 4365/4885CTSK 4384/4885MIF 4557/4885
US-20040147490-A1 2-Amino-propanol derivatives CD4, HLA-DRB1, CCR1 CTSS 4737/4885CTSK 4553/4885MIF 186/4885

“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.