SCHEMBL1497773

SCHEMBL1497773

CC(=O)NC(CCc1ccc(OCc2ccccc2)cc1)C(O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.57
ACACA Q13085 3/20 0.57
MMP12 P39900 1/20 0.56
FFAR1 O14842 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53
BCHE P06276 2/20 0.53
MAOB P27338 1/20 0.51
PPARG P37231 1/20 0.49
LTA4H P09960 1/20 0.49
ALOX5 P09917 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 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
SCHEMBL7619607 0.82 ACACB (0.57) ACACBACACAMMP12FFAR1FFAR4
SCHEMBL7615628 0.80 ACACB (0.54) ACACBACACAMMP12FFAR1FFAR4
SCHEMBL12783525 0.78 ENPP2 (0.53) ACACBFFAR1FFAR4MAOBPPARG
SCHEMBL10753671 0.78 FFAR1 (0.60) MMP12FFAR1FFAR4BCHEMAOB
SCHEMBL28064100 0.77 MMP12 (0.65) MMP12FFAR1FFAR4BCHEMAOB
SCHEMBL8887748 0.77 MMP12 (0.65) MMP12FFAR1FFAR4BCHEMAOB
SCHEMBL28303067 0.75 PPARG (0.76) PPARG
SCHEMBL28526468 0.75 FFAR1 (0.57) MMP12FFAR1FFAR4BCHEMAOB
SCHEMBL3119335 0.75 PTPN1 (0.49) ACACBACACAMMP12FFAR1FFAR4
SCHEMBL5613493 0.75 MMP12 (0.92) MMP12FFAR1FFAR4BCHELTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277194-A1 AMINOPROPANOL DERIVATIVES ALBERT RAINER (CH) 2012-11-01 US disclosed
US-20110118210-A1 AMINOPROPANOL DERIVATIVES ALBERT RAINER 2011-05-19 US disclosed
US-7902175-B2 Aminopropanol derivatives NOVARTIS AG (CH) 2011-03-08 US disclosed
EP-1660449-B1 AMINOPROPANOL DERIVATIVES NOVARTIS AG (CH) 2009-11-18 EP 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-20090156556-A1 AMINOPROPANOL DERIVATIVES ALBERT RAINER 2009-06-18 US disclosed
US-7528120-B2 Aminopropanol derivatives NOVARTIS AG (CH) 2009-05-05 US disclosed
US-20060264403-A1 Aminopropanol derivatives NOVARTIS AG (CH) 2006-11-23 US disclosed
US-20060166940-A1 Amino-propanol derivatives NOVARTIS AG (CH) 2006-07-27 US disclosed
EP-1660449-A1 AMINOPROPANOL DERIVATIVES Novartis AG (CH) 2006-05-31 EP disclosed
EP-1539674-A1 AMINO-PROPANOL DERIVATIVES Novartis AG (CH) 2005-06-15 EP disclosed
WO-2005021503-A1 AMINOPROPANOL DERIVATIVES NOVARTIS AG (CH) 2005-03-10 WO disclosed
WO-2004024673-A1 AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2004-03-25 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 (5 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-20110118210-A1 AMINOPROPANOL DERIVATIVES ADRB1, ADRA1D, ADRA1A ACACB 2215/4885ACACA 2257/4885MMP12 4810/4885
US-20090156556-A1 AMINOPROPANOL DERIVATIVES ADRB1, ADRA1D, ADRA1A ACACB 2215/4885ACACA 2257/4885MMP12 4810/4885
US-20060166940-A1 Amino-propanol derivatives ADRB1, ADRB3, ADRA1D ACACB 3014/4885ACACA 2324/4885MMP12 4848/4885
US-20120277194-A1 AMINOPROPANOL DERIVATIVES ADRB1, ADRA1D, ADRA1A ACACB 2215/4885ACACA 2257/4885MMP12 4810/4885
US-20060264403-A1 Aminopropanol derivatives ADRB1, ADRA1D, ADRA1A ACACB 2215/4885ACACA 2257/4885MMP12 4810/4885

“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.