SCHEMBL2293395

SCHEMBL2293395

NC(Cc1ccc(Oc2ccc(Oc3ccc(Cl)cc3)cc2)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.61
PPARA Q07869 9/20 0.61
SLC7A5 Q01650 3/20 0.57
PTPN1 P18031 1/20 0.56
PTGS1 P23219 3/20 0.56
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
XIAP P98170 1/20 0.56
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
HIF1A Q16665 3/20 0.53
ALOX15 P16050 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
EGFR P00533 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
HTR2A P28223 1/20 0.53

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
SCHEMBL2293387 1.00 PPARG (0.61) PPARGPPARASLC7A5PTPN1PTGS1
SCHEMBL12379289 0.95 PPARG (0.57) PPARGPPARASLC7A5PTPN1PTGS1
Hydrochloric Acid SCHEMBL2357303 0.94 PPARG (0.56) PPARGPPARASLC7A5PTPN1PTGS1
Hydrochloric Acid SCHEMBL2357300 0.94 PPARG (0.56) PPARGPPARASLC7A5PTPN1PTGS1
Fenclonine SCHEMBL3140768 0.90 SLC7A5 (0.69) PPARGPPARASLC7A5PTPN1PTGS1
Fenclonine SCHEMBL26383 0.90 SLC7A5 (0.69) PPARGPPARASLC7A5PTPN1PTGS1
Fenclonine SCHEMBL245828 0.90 SLC7A5 (0.69) PPARGPPARASLC7A5PTPN1PTGS1
Fenclonine SCHEMBL26382 0.90 SLC7A5 (0.69) PPARGPPARASLC7A5PTPN1PTGS1
Fenclonine SCHEMBL6357978 0.88 SLC7A5 (0.67) PPARGPPARASLC7A5PTGS1ALPI
Fenclonine SCHEMBL988270 0.88 SLC7A5 (0.67) PPARGPPARASLC7A5PTGS1ALPI

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 4 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
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
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 PPARG 410/4885PPARA 350/4885SLC7A5 992/4885

“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.