SCHEMBL2569588

SCHEMBL2569588

NC(Cc1ccc(Oc2ccc(CC3OC(=O)NC3=O)cc2F)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
NR1I2 O75469 1/20 0.40
PPARG P37231 1/20 0.40
AGTR2 P50052 1/20 0.40
MEN1 O00255 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN1 P18031 2/20 0.39
FFAR1 O14842 1/20 0.37
PCNA P12004 1/20 0.37
SLC7A5 Q01650 4/20 0.36
PTGS1 P23219 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
EGFR P00533 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ALOX15 P16050 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
SCHEMBL1386581 0.96 PPARG (0.42) ITGB3ITGA2BNR1I2PPARGAGTR2
SCHEMBL1384490 0.90 ALDH1A1 (0.38) NR1I2PPARGAGTR2MEN1BLM
SCHEMBL1385931 0.89 PPARG (0.41) ITGB3ITGA2BNR1I2PPARGAGTR2
SCHEMBL2564781 0.89 NR1I2 (0.42) ITGB3ITGA2BNR1I2PPARGAGTR2
SCHEMBL1385019 0.88 PTPN1 (0.42) ITGB3ITGA2BNR1I2PPARGAGTR2
SCHEMBL2567273 0.87 PCNA (0.44) ITGB3ITGA2BNR1I2PPARGMEN1
SCHEMBL1385865 0.87 ITGB3 (0.45) ITGB3ITGA2BMEN1KMT2APTPN1
SCHEMBL1386286 0.86 ALDH1A1 (0.40) NR1I2PPARGAGTR2MEN1BLM
SCHEMBL1386226 0.86 PTPN1 (0.39) ITGB3ITGA2BNR1I2PPARGAGTR2
SCHEMBL1386898 0.85 ITGB3 (0.42) ITGB3ITGA2BNR1I2PPARGAGTR2

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
EP-1583529-B1 AMINO ACID PHENOXY ETHERS, THEIR PREPARATION AND USES BEXEL PHARMACEUTICALS INC (US) 2011-11-09 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
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
WO-2004066964-A9 AMINO ACID PHENOXY ETHERS BEXEL PHARMACEUTICALS INC (US) 2004-09-02 WO 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 4201/4885NR1I2 1533/4885
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 3081/4885NR1I2 66/4885

“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.