SCHEMBL3867713

SCHEMBL3867713

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Oc2ccc(C=O)cc2)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.60
ITGA2B P08514 2/20 0.60
ACE P12821 2/20 0.55
PTPN1 P18031 3/20 0.52
PPARA Q07869 4/20 0.50
PPARG P37231 3/20 0.50
SCN9A Q15858 1/20 0.49
CTSS P25774 6/20 0.49
CTSK P43235 5/20 0.49
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
ITGA4 P13612 1/20 0.48
ITGB7 P26010 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
MME P08473 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
ITGB1 P05556 1/20 0.46
ITGAV P06756 1/20 0.46
ITGB5 P18084 1/20 0.46

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
SCHEMBL3867720 1.00 ITGB3 (0.60) ITGB3ITGA2BACEPTPN1PPARA
SCHEMBL23704405 0.94 ACE (0.60) ITGB3ITGA2BACEPTPN1PPARA
SCHEMBL5227204 0.94 ACE (0.60) ITGB3ITGA2BACEPTPN1PPARA
SCHEMBL4595886 0.91 CTSS (0.58) ITGB3ITGA2BACEPTPN1PPARA
SCHEMBL14021749 0.91 CTSS (0.58) ITGB3ITGA2BACEPTPN1PPARA
SCHEMBL3868286 0.90 KLK5 (0.50) ITGB3ITGA2BACEPPARAPPARG
SCHEMBL3868288 0.90 KLK5 (0.50) ITGB3ITGA2BACEPPARAPPARG
SCHEMBL3923929 0.88 ACE (0.65) ITGB3ITGA2BACEPTPN1PPARA
SCHEMBL2290444 0.88 ACE (0.65) ITGB3ITGA2BACEPTPN1PPARA
SCHEMBL3923937 0.88 ACE (0.65) ITGB3ITGA2BACEPTPN1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1848700-B1 SALTS OF (S)-2-AMINO-3-{4-[4-(2,4-DIOXO-THIAZOLIDIN-5-YLMETHYL)-PHENOXY]-PHENYL}-PROPIONIC ACID AND ITS METHYL ESTER AS INTERLEUKIN INHIBITORS FOR THE TREATMENT OF OBESITY OR DIABETES BEXEL PHARMACEUTICALS INC (US) 2015-12-30 EP disclosed
EP-1848700-B1 SALTS OF (S)-2-AMINO-3-{4-[4-(2,4-DIOXO-THIAZOLIDIN-5-YLMETHYL)-PHENOXY]-PHENYL}-PROPIONIC ACID AND ITS METHYL ESTER AS INTERLEUKIN INHIBITORS FOR THE TREATMENT OF OBESITY OR DIABETES BEXEL PHARMACEUTICALS INC (US) 2015-12-30 EP disclosed
US-7521465-B2 Diphenyl ether derivatives BEXEL PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521465-B2 Diphenyl ether derivatives BEXEL PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521465-B2 Diphenyl ether derivatives BEXEL PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-20080319031-A1 Novel Tyrosine Derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED 2008-12-25 US disclosed
US-7456292-B2 Hydroxamic acid-containing amino acid derivatives BEXEL PHARMACEUTICALS, INC. (US) 2008-11-25 US disclosed
US-20080261981-A1 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS BEXEL PHARMACEUTICALS, INC. 2008-10-23 US disclosed
US-20080200521-A1 Novel hydroxamic acid containing amino acid derivatives BEXEL PHARMACEUTICALS. INC. 2008-08-21 US disclosed
US-7399786-B2 Derivatives of amino acids for treatment of obesity and related disorders BEXEL PHARMACEUTICALS, INC. (US) 2008-07-15 US disclosed
US-7399786-B2 Derivatives of amino acids for treatment of obesity and related disorders BEXEL PHARMACEUTICALS, INC. (US) 2008-07-15 US disclosed
EP-1858845-A2 NOVEL TYROSINE DERIVATIVES Orchid Chemicals and Pharmaceuticals Limited (IN) 2007-11-28 EP disclosed
EP-1848700-A1 5- [4- (4- (2 -AMINO- 2 -METHOXYCARBONYLETHYL) PHENOXY) BENZILIDENE]THIAZOLIDIN-2 , 4-DION E DERIVATIVES AND RELATED COMPOUNDS FOR REDUCING GLUCOSE, CHOLESTEROL AND TRIGLYCERIDE LEVELS IN PLASMA Bexel Pharmaceuticals Inc (US) 2007-10-31 EP disclosed
US-20070004725-A1 Novel derivatives of amino acids for treatment of obesity and related disorders BEXEL PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004776-A1 Novel hydroxamic acid-containing amino acid derivatives BEXEL PHARMACEUTICALS, INC. 2007-01-04 US disclosed
WO-2006097809-A2 NOVEL TYROSINE DERIVATIVES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2006-09-21 WO disclosed
WO-2006089225-A1 5- [4- (4- (2 -AMINO- 2 -METHOXYCARBONYLETHYL) PHENOXY) BENZILIDENE] THIAZOLIDIN-2 , 4-DION E DERIVATIVES AND RELATED COMPOUNDS FOR REDUCING GLUCOSE, CHOLESTEROL AND TRIGLYCERIDE LEVELS IN PLASMA BEXEL PHARMACEUTICALS, INC. (US) 2006-08-24 WO disclosed
US-20050288341-A1 Novel diphenyl ether derivatives BEXEL PHARMACEUTICALS, INC. 2005-12-29 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 (6 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-20080200521-A1 Novel hydroxamic acid containing amino acid derivatives HGFAC, HCAR2, BCAT1 ITGB3 3012/4885ITGA2B 1533/4885ACE 1960/4885
US-20070004725-A1 Novel derivatives of amino acids for treatment of obesity and related disorders GPR119, AADAT, FABP4 ITGB3 3939/4885ITGA2B 4038/4885ACE 907/4885
US-20050288341-A1 Novel diphenyl ether derivatives GPR119, FABP4, PNLIP ITGB3 3699/4885ITGA2B 3781/4885ACE 3770/4885
US-20080319031-A1 Novel Tyrosine Derivatives ABL1, LCK, TYRO3 ITGB3 1388/4885ITGA2B 857/4885ACE 1280/4885
US-20080261981-A1 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS GPR119, AADAT, FABP4 ITGB3 3939/4885ITGA2B 4038/4885ACE 907/4885
US-20070004776-A1 Novel hydroxamic acid-containing amino acid derivatives HGFAC, HCAR2, BCAT1 ITGB3 2787/4885ITGA2B 1615/4885ACE 1880/4885

“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.