SCHEMBL3868288

SCHEMBL3868288

COC(=O)C(Cc1ccc(Oc2ccc(C=O)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.50
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
CTSS P25774 6/20 0.46
CTSK P43235 5/20 0.46
NOS3 P29474 2/20 0.46
NOS1 P29475 2/20 0.46
NOS2 P35228 2/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
ACE P12821 1/20 0.43
YAP1 P46937 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MMP13 P45452 1/20 0.43
ABCB1 P08183 1/20 0.43

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
SCHEMBL3868286 1.00 KLK5 (0.50) KLK5ITGB3ITGA2BCTSSCTSK
SCHEMBL12028561 0.94 KLK5 (0.55) KLK5ITGB3ITGA2BCTSSCTSK
SCHEMBL30759357 0.94 KLK5 (0.55) KLK5ITGB3ITGA2BCTSSCTSK
SCHEMBL3867713 0.90 ITGB3 (0.60) ITGB3ITGA2BCTSSCTSKCTSL
SCHEMBL3867720 0.90 ITGB3 (0.60) ITGB3ITGA2BCTSSCTSKCTSL
SCHEMBL14003009 0.87 PPARA (0.52) KLK5ITGB3ITGA2BCTSSCTSK
SCHEMBL4597807 0.87 PPARA (0.52) KLK5ITGB3ITGA2BCTSSCTSK
SCHEMBL2294118 0.87 KLK5 (0.61) KLK5ITGB3ITGA2BCTSSCTSK
SCHEMBL29721250 0.87 KLK5 (0.61) KLK5ITGB3ITGA2BCTSSCTSK
SCHEMBL29103443 0.87 KLK5 (0.61) KLK5ITGB3ITGA2BCTSSCTSK

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 10 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
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-20080319031-A1 Novel Tyrosine Derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED 2008-12-25 US disclosed
US-20080319031-A1 Novel Tyrosine Derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED 2008-12-25 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
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 (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-20050288341-A1 Novel diphenyl ether derivatives GPR119, FABP4, PNLIP KLK5 4495/4885ITGB3 3699/4885ITGA2B 3781/4885
US-20080319031-A1 Novel Tyrosine Derivatives ABL1, LCK, TYRO3 KLK5 2087/4885ITGB3 1388/4885ITGA2B 857/4885

“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.