SCHEMBL1384417

SCHEMBL1384417

NC(Cc1ccc(Oc2ccc(CC3OC(=O)NC3=O)c(C(F)(F)F)c2)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.42
GRB2 P62993 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
PPARG P37231 5/20 0.36
EPHX2 P34913 3/20 0.36
PCNA P12004 2/20 0.35
SLC7A5 Q01650 3/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 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
ALOX15 P16050 1/20 0.34
PTGS1 P23219 1/20 0.34
HTR2A P28223 1/20 0.34
PTGS2 P35354 1/20 0.34
RECQL P46063 1/20 0.34
HIF1A Q16665 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
SCHEMBL1384979 0.93 PTPN1 (0.38) PTPN1GRB2ITGB3ITGA2BPPARG
SCHEMBL1386390 0.91 EPHX2 (0.38) PTPN1PPARGEPHX2PTGS2
SCHEMBL1386707 0.88 ITGB3 (0.41) PTPN1GRB2ITGB3ITGA2BPPARG
SCHEMBL1385019 0.85 PTPN1 (0.42) PTPN1GRB2ITGB3ITGA2BPPARG
SCHEMBL1385220 0.85 EPHX2 (0.35) PPARGEPHX2PTGS2
SCHEMBL1385865 0.84 ITGB3 (0.45) PTPN1GRB2ITGB3ITGA2BPCNA
SCHEMBL2570331 0.84 PPARG (0.40) PTPN1GRB2ITGB3ITGA2BPPARG
SCHEMBL1387059 0.83 PTPN1 (0.43) PTPN1GRB2ITGB3ITGA2BPPARG
SCHEMBL1386587 0.82 SLC1A3 (0.39) PTPN1ITGB3ITGA2BPPARGPCNA
SCHEMBL1386226 0.81 PTPN1 (0.39) PTPN1GRB2ITGB3ITGA2BPPARG

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 14 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
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 PTPN1 1192/4885GRB2 326/4885ITGB3 4367/4885
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 PTPN1 439/4885GRB2 536/4885ITGB3 3557/4885

“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.