SCHEMBL2295009

SCHEMBL2295009

N[C@H](CO)Cc1ccc(Oc2ccc(Oc3ccc(Cl)cc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.62
PPARG P37231 9/20 0.50
PPARA Q07869 9/20 0.50
PCNA P12004 1/20 0.50
LIG1 P18858 1/20 0.50
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
NPY5R Q15761 1/20 0.42
S1PR5 Q9H228 1/20 0.41
SCN9A Q15858 1/20 0.41
NMT2 O60551 1/20 0.40
NMT1 P30419 1/20 0.40

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
SCHEMBL2295017 1.00 SLC6A4 (0.62) SLC6A4PPARGPPARAPCNALIG1
Hydrochloric Acid SCHEMBL6478641 0.98 SLC6A4 (0.60) SLC6A4PPARGPPARAPCNALIG1
Hydrochloric Acid SCHEMBL6478645 0.98 SLC6A4 (0.60) SLC6A4PPARGPPARAPCNALIG1
SCHEMBL1779366 0.89 SLC6A4 (0.78) SLC6A4PPARGPPARASLC6A2SLC6A3
SCHEMBL652674 0.89 SLC6A4 (0.78) SLC6A4PPARGPPARASLC6A2SLC6A3
SCHEMBL7957756 0.89 SLC6A4 (0.78) SLC6A4PPARGPPARASLC6A2SLC6A3
SCHEMBL12379282 0.84 LTA4H (0.60) PPARGPPARAPCNALIG1SCN9A
SCHEMBL12379287 0.84 LTA4H (0.60) PPARGPPARAPCNALIG1SCN9A
SCHEMBL12379305 0.83 SLC6A4 (0.55) SLC6A4PPARGPPARASLC6A2SLC6A3
SCHEMBL12379274 0.83 SLC6A4 (0.55) SLC6A4PPARGPPARASLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989480-B2 Aryl amino acid derivatives as inhibitors for treating inflammation DECODE GENETICS EHF (IS) 2011-08-02 US disclosed
US-7989480-B2 Aryl amino acid derivatives as inhibitors for treating inflammation DECODE GENETICS EHF (IS) 2011-08-02 US disclosed
US-7989480-B2 Aryl amino acid derivatives as inhibitors for treating inflammation DECODE GENETICS EHF (IS) 2011-08-02 US disclosed
EP-2066800-A2 ARYL AMINO ACID DERIVATIVES AS INHIBITORS OF LTA4H (LEUKOTRIENE A4 HYDROLASE) FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2009-06-10 EP disclosed
WO-2008019306-A2 ARYL AMINO ACID DERIVATIVES AS INHIBITORS OF LTA4H (LEUKOTRIENE A4 HYDROLASE) FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2008-02-14 WO disclosed
WO-2008019306-A2 ARYL AMINO ACID DERIVATIVES AS INHIBITORS OF LTA4H (LEUKOTRIENE A4 HYDROLASE) FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2008-02-14 WO disclosed
US-20080033024-A1 ARYL AMINO ACID DERIVATIVES AS INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-02-07 US disclosed
US-20080033024-A1 ARYL AMINO ACID DERIVATIVES AS INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-02-07 US disclosed
US-20080033024-A1 ARYL AMINO ACID DERIVATIVES AS INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-02-07 US 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-20080033024-A1 ARYL AMINO ACID DERIVATIVES AS INHIBITORS FOR TREATING INFLAMMATION LTA4H, LTB4R2, LTB4R SLC6A4 1860/4885PPARG 410/4885PPARA 350/4885

“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.