SCHEMBL1385865

SCHEMBL1385865

NC(Cc1ccc(Oc2ccc(CC3OC(=O)NC3=O)cc2)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
PTPN1 P18031 1/20 0.43
SLC7A5 Q01650 4/20 0.43
PTGS1 P23219 3/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
XIAP P98170 1/20 0.41
PCNA P12004 1/20 0.40
HIF1A Q16665 4/20 0.40
ALOX15 P16050 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
USP2 O75604 1/20 0.40
EGFR P00533 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
HTR2A P28223 1/20 0.40
PTGS2 P35354 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
SCHEMBL1384913 0.88 PTGS2 (0.41) ITGB3ITGA2BXIAPPTGS2TPH1
SCHEMBL1386898 0.88 ITGB3 (0.42) ITGB3ITGA2BPTPN1SLC7A5PTGS1
SCHEMBL1385931 0.88 PPARG (0.41) ITGB3ITGA2BPTPN1SLC7A5PTGS1
SCHEMBL1385652 0.88 PCNA (0.35) ITGB3ITGA2BPTPN1SLC7A5PTGS1
SCHEMBL2567273 0.88 PCNA (0.44) ITGB3ITGA2BPTPN1SLC7A5PTGS1
SCHEMBL2569127 0.87 THRB (0.38) ITGB3ITGA2BPTPN1SLC7A5PTGS1
SCHEMBL2564781 0.87 NR1I2 (0.42) ITGB3ITGA2BPTPN1SLC7A5PTGS1
SCHEMBL1386587 0.87 SLC1A3 (0.39) ITGB3ITGA2BPTPN1SLC7A5PTGS1
SCHEMBL1386581 0.87 PPARG (0.42) ITGB3ITGA2BPTPN1SLC7A5PTGS1
SCHEMBL2569588 0.87 ITGB3 (0.41) ITGB3ITGA2BPTPN1SLC7A5PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4833072-B2 2011-12-07 JP claimed
EP-1583529-B1 AMINO ACID PHENOXY ETHERS, THEIR PREPARATION AND USES BEXEL PHARMACEUTICALS INC (US) 2011-11-09 EP claimed
EP-1583529-A4 AMINO ACID PHENOXY ETHERS BEXEL PHARMACEUTICALS INC (US) 2007-07-04 EP claimed
EP-1583529-A2 AMINO ACID PHENOXY ETHERS Bexel Pharmaceuticals Inc (US) 2005-10-12 EP claimed
US-6794401-B2 thiazolidin-2,4-diones or -oxazolidin-2,4-diones; metabolic Syndrome-X; immunological diseases, inflammation, obesity, hyperlipidemia, hypertension, diabetes; increased leptin level; no liver toxicity; inhibits TNF alpha , IL-6 and IL-1 beta; no affinity for PPAR-g; non-adipogenic BEXEL PHARMACEUTICALS, INC. 2004-09-21 US claimed
WO-2004066964-A2 AMINO ACID PHENOXY ETHERS BEXEL PHARMACEUTICALS, INC. (US) 2004-08-12 WO claimed
US-20040142991-A1 Amino acid phenoxy ethers BEXEL PHARMACEUTICALS, INC. 2004-07-22 US claimed
EP-1583529-B1 AMINO ACID PHENOXY ETHERS, THEIR PREPARATION AND USES BEXEL PHARMACEUTICALS INC (US) 2011-11-09 EP disclosed
WO-2006125285-A1 INSULIN SENSITIZATION TO SLOW DOWN PUBERTAL TEMPO AND TO AUGMENT PUBERTAL GROWTH K.U. LEUVEN RESEARCH AND DEVELOPMENT (BE) 2006-11-30 WO disclosed
US-20050096366-A1 thiazolidin-2,4-diones or -oxazolidin-2,4-diones; obesity, inflammation, autoimmune diseases (multiple sclerosis and rheumatoid arthritis); increase the leptin level; no liver toxicity; inhibits TNF- alpha , IL-1, IL-6, IL-1 beta and cyclooxygenase COX-2; no affinity for PPAR-g; non-adipogenic. BEXEL PHARMACEUTICALS, INC. 2005-05-05 US disclosed
US-6794401-B2 thiazolidin-2,4-diones or -oxazolidin-2,4-diones; metabolic Syndrome-X; immunological diseases, inflammation, obesity, hyperlipidemia, hypertension, diabetes; increased leptin level; no liver toxicity; inhibits TNF alpha , IL-6 and IL-1 beta; no affinity for PPAR-g; non-adipogenic BEXEL PHARMACEUTICALS, INC. 2004-09-21 US disclosed
US-20040142991-A1 Amino acid phenoxy ethers BEXEL PHARMACEUTICALS, INC. 2004-07-22 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 (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-20040142991-A1 Amino acid phenoxy ethers IL4I1, DNPEP, GPR119 ITGB3 4367/4885ITGA2B 4201/4885PTPN1 1192/4885
US-20050096366-A1 thiazolidin-2,4-diones or -oxazolidin-2,4-diones; obesity, inflammation, autoimmune diseases (multiple sclerosis and rheumatoid arthritis); increase the leptin level; no liver toxicity; inhibits TNF- alpha , IL-1, IL-6, IL-1 beta and cyclooxygenase COX-2; no affinity for PPAR-g; non-adipogenic. PPARA, PPARG, PPARD ITGB3 3557/4885ITGA2B 3081/4885PTPN1 439/4885

“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.