SCHEMBL1386587

SCHEMBL1386587

NC(Cc1ccc(Oc2ccc(CC3OC(=O)NC3=O)cc2)cc1F)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
PTPN1 P18031 2/20 0.38
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
PCNA P12004 2/20 0.35
KDM4E B2RXH2 3/20 0.34
USP2 O75604 3/20 0.34
ALOX15 P16050 2/20 0.34
RECQL P46063 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
EGFR P00533 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
PTGS1 P23219 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL1386707 0.92 ITGB3 (0.41) SLC1A3SLC1A2SLC1A1PTPN1ITGB3
SCHEMBL1385594 0.90 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1PTGS2PPARG
SCHEMBL1385652 0.89 PCNA (0.35) PTPN1ITGB3ITGA2BPCNAKDM4E
SCHEMBL2569127 0.89 THRB (0.38) PTPN1ITGB3ITGA2BPCNAKDM4E
SCHEMBL1384979 0.88 PTPN1 (0.38) SLC1A3SLC1A2SLC1A1PTPN1ITGB3
SCHEMBL1385865 0.87 ITGB3 (0.45) PTPN1ITGB3ITGA2BPCNAKDM4E
SCHEMBL1385921 0.86 MEN1 (0.35) SLC1A3SLC1A2SLC1A1PTPN1ITGB3
SCHEMBL2567273 0.85 PCNA (0.44) PTPN1ITGB3ITGA2BPCNAKDM4E
SCHEMBL1386898 0.85 ITGB3 (0.42) SLC1A3SLC1A2SLC1A1PTPN1ITGB3
SCHEMBL1386245 0.85 GRIA2 (0.37) ITGB3ITGA2BPCNAGRIA1GRIA2

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 17 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-A9 AMINO ACID PHENOXY ETHERS BEXEL PHARMACEUTICALS INC (US) 2004-09-02 WO 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
EP-1583529-A4 AMINO ACID PHENOXY ETHERS BEXEL PHARMACEUTICALS INC (US) 2007-07-04 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
EP-1583529-A2 AMINO ACID PHENOXY ETHERS Bexel Pharmaceuticals Inc (US) 2005-10-12 EP 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
WO-2004066964-A2 AMINO ACID PHENOXY ETHERS BEXEL PHARMACEUTICALS, INC. (US) 2004-08-12 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 SLC1A3 22/4885SLC1A2 12/4885SLC1A1 19/4885
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 SLC1A3 1873/4885SLC1A2 1252/4885SLC1A1 1032/4885

“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.